EXCITED SIGMA-G STATES OF H2 ZURICH 1992 These tables correspond to the PAPS tables submitted with the paper: L. Wolniewicz and K. Dressler, J. Chem. Phys. 100, 444, 1994. EF-STATE ENERGIES R E D DE/DR A G 1.000 -0.580083649 -9857.999 -0.503578739 -0.266158E+00 -0.546421E+00 1.010 -0.585037422 -8770.772 -0.487265157 -0.265793E+00 -0.543176E+00 1.012 -0.586008782 -8557.583 -0.484069913 -0.265717E+00 -0.542532E+00 1.014 -0.586973758 -8345.795 -0.480896351 -0.265645E+00 -0.541890E+00 1.016 -0.587932524 -8135.370 -0.477744309 -0.265575E+00 -0.541248E+00 1.018 -0.588884880 -7926.352 -0.474614262 -0.265502E+00 -0.540609E+00 1.020 -0.589831029 -7718.697 -0.471505852 -0.265427E+00 -0.539971E+00 1.022 -0.590770960 -7512.406 -0.468418531 -0.265353E+00 -0.539334E+00 1.024 -0.591704762 -7307.460 -0.465352658 -0.265278E+00 -0.538700E+00 1.026 -0.592632445 -7103.857 -0.462307344 -0.265204E+00 -0.538066E+00 1.028 -0.593554053 -6901.587 -0.459283171 -0.265127E+00 -0.537435E+00 1.030 -0.594469619 -6700.644 -0.456279366 -0.265051E+00 -0.536805E+00 1.032 -0.595379226 -6501.008 -0.453296179 -0.264973E+00 -0.536176E+00 1.034 -0.596282855 -6302.684 -0.450333097 -0.264899E+00 -0.535549E+00 1.036 -0.597180610 -6105.650 -0.447390267 -0.264820E+00 -0.534924E+00 1.038 -0.598072466 -5909.910 -0.444467233 -0.264744E+00 -0.534300E+00 1.040 -0.598958523 -5715.443 -0.441564127 -0.264666E+00 -0.533677E+00 1.042 -0.599838772 -5522.251 -0.438680469 -0.264589E+00 -0.533056E+00 1.044 -0.600713285 -5330.318 -0.435816387 -0.264511E+00 -0.532437E+00 1.046 -0.601582075 -5139.640 -0.432971491 -0.264434E+00 -0.531819E+00 1.048 -0.602445215 -4950.203 -0.430145928 -0.264355E+00 -0.531203E+00 1.050 -0.603302689 -4762.009 -0.427339164 -0.264279E+00 -0.530588E+00 1.060 -0.607506964 -3839.277 -0.413585349 -0.263885E+00 -0.527536E+00 1.070 -0.611575928 -2946.243 -0.400283850 -0.263486E+00 -0.524520E+00 1.080 -0.615514061 -2081.923 -0.387417092 -0.263082E+00 -0.521541E+00 1.090 -0.619325643 -1245.377 -0.374968484 -0.262672E+00 -0.518598E+00 1.100 -0.623014760 -435.710 -0.362921712 -0.262261E+00 -0.515691E+00 1.200 -0.653969390 6358.046 -0.261511121 -0.258067E+00 -0.488458E+00 1.300 -0.676212612 11239.868 -0.187073485 -0.253845E+00 -0.464266E+00 1.400 -0.692016228 14708.361 -0.131649345 -0.249771E+00 -0.442725E+00 1.500 -0.702998510 17118.693 -0.089921011 -0.245900E+00 -0.423511E+00 1.600 -0.710335382 18728.950 -0.058240298 -0.242390E+00 -0.406348E+00 1.700 -0.714896509 19730.002 -0.034050222 -0.239286E+00 -0.391007E+00 1.800 -0.717334583 20265.098 -0.015523866 -0.236674E+00 -0.377295E+00 1.900 -0.718146335 20443.256 -0.001335805 -0.234661E+00 -0.365055E+00 2.000 -0.717714276 20348.430 0.009488625 -0.233426E+00 -0.354157E+00 2.100 -0.716337036 20046.161 0.017671184 -0.233279E+00 -0.344499E+00 2.200 -0.714250554 19588.231 0.023748960 -0.234779E+00 -0.336011E+00 2.300 -0.711644486 19016.266 0.028117853 -0.238988E+00 -0.328652E+00 2.400 -0.708674791 18364.493 0.031059243 -0.248002E+00 -0.322423E+00 2.500 -0.705474454 17662.100 0.032751293 -0.266166E+00 -0.317383E+00 2.600 -0.702164041 16935.549 0.033261070 -0.302996E+00 -0.313686E+00 2.700 -0.698864362 16211.353 0.032506468 -0.380529E+00 -0.311645E+00 2.800 -0.695715521 15520.262 0.030161888 -0.552072E+00 -0.311876E+00 2.900 -0.692909655 14904.446 0.025469500 -0.945016E+00 -0.315530E+00 3.000 -0.690746690 14429.730 0.017013992 -0.180181E+01 -0.324533E+00 3.100 -0.689686899 14197.133 0.003262912 -0.316380E+01 -0.340775E+00 3.200 -0.690222484 14314.680 -0.014080042 -0.381966E+01 -0.361959E+00 3.300 -0.692386324 14789.588 -0.028046675 -0.285756E+01 -0.379644E+00 3.400 -0.695571978 15488.758 -0.034436365 -0.170430E+01 -0.388911E+00 3.500 -0.699077968 16258.234 -0.034950005 -0.106990E+01 -0.391505E+00 3.600 -0.702458728 17000.225 -0.032308041 -0.778079E+00 -0.390239E+00 3.700 -0.705493250 17666.226 -0.028229420 -0.640059E+00 -0.386883E+00 3.800 -0.708088024 18235.713 -0.023618418 -0.567658E+00 -0.382397E+00 3.900 -0.710215540 18702.648 -0.018938689 -0.524445E+00 -0.377313E+00 4.000 -0.711882175 19068.432 -0.014429065 -0.495153E+00 -0.371947E+00 4.100 -0.713111715 19338.285 -0.010210921 -0.473067E+00 -0.366498E+00 4.200 -0.713936570 19519.320 -0.006341567 -0.455066E+00 -0.361095E+00 4.300 -0.714392902 19619.473 -0.002841896 -0.439629E+00 -0.355825E+00 4.400 -0.714517802 19646.885 0.000288526 -0.425978E+00 -0.350746E+00 4.500 -0.714347622 19609.535 0.003062720 -0.413695E+00 -0.345896E+00 4.600 -0.713917014 19515.028 0.005500951 -0.402541E+00 -0.341296E+00 4.700 -0.713258362 19370.470 0.007627401 -0.392369E+00 -0.336959E+00 4.800 -0.712401594 19182.432 0.009467935 -0.383079E+00 -0.332888E+00 4.900 -0.711373983 18956.897 0.011048780 -0.374593E+00 -0.329079E+00 5.000 -0.710200223 18699.287 0.012395543 -0.366846E+00 -0.325526E+00 5.100 -0.708902434 18414.455 0.013532727 -0.359778E+00 -0.322220E+00 5.200 -0.707500446 18106.754 0.014483201 -0.353338E+00 -0.319147E+00 5.300 -0.706011855 17780.046 0.015268144 -0.347474E+00 -0.316295E+00 5.400 -0.704452229 17437.748 0.015906934 -0.342137E+00 -0.313651E+00 5.500 -0.702835294 17082.872 0.016417151 -0.337283E+00 -0.311199E+00 5.600 -0.701173089 16718.060 0.016814651 -0.332870E+00 -0.308928E+00 5.700 -0.699476178 16345.631 0.017113628 -0.328858E+00 -0.306822E+00 5.800 -0.697753754 15967.603 0.017326760 -0.325212E+00 -0.304870E+00 5.900 -0.696013833 15585.734 0.017465312 -0.321896E+00 -0.303060E+00 6.000 -0.694263365 15201.551 0.017539244 -0.318882E+00 -0.301380E+00 6.200 -0.690754013 14431.337 0.017527437 -0.313651E+00 -0.298368E+00 6.400 -0.687264461 13665.469 0.017349822 -0.309327E+00 -0.295761E+00 6.600 -0.683823166 12910.192 0.017051400 -0.305757E+00 -0.293493E+00 6.800 -0.680450682 12170.017 0.016666539 -0.302820E+00 -0.291512E+00 7.000 -0.677161564 11448.139 0.016221278 -0.300419E+00 -0.289774E+00 7.200 -0.673965839 10746.759 0.015735175 -0.298480E+00 -0.288240E+00 7.400 -0.670870153 10067.334 0.015222775 -0.296947E+00 -0.286883E+00 7.600 -0.667878629 9410.771 0.014694771 -0.295778E+00 -0.285676E+00 7.800 -0.664993554 8777.570 0.014158818 -0.294944E+00 -0.284601E+00 8.000 -0.662216015 8167.971 0.013620380 -0.294428E+00 -0.283641E+00 8.250 -0.658895381 7439.176 0.012949145 -0.294221E+00 -0.282584E+00 8.500 -0.655741893 6747.065 0.012283589 -0.294506E+00 -0.281670E+00 8.750 -0.652753870 6091.270 0.011625304 -0.295312E+00 -0.280886E+00 9.000 -0.649929509 5471.395 0.010974017 -0.296688E+00 -0.280226E+00 9.250 -0.647267218 4887.089 0.010328119 -0.298702E+00 -0.279688E+00 9.500 -0.644765959 4338.126 0.009685045 -0.301435E+00 -0.279273E+00 9.750 -0.642425407 3824.435 0.009041679 -0.304972E+00 -0.278989E+00 10.000 -0.640246025 3346.116 0.008394820 -0.309383E+00 -0.278846E+00 10.250 -0.638229044 2903.439 0.007741748 -0.314688E+00 -0.278859E+00 10.500 -0.636376213 2496.790 0.007080965 -0.320820E+00 -0.279043E+00 10.600 -0.635681484 2344.315 0.006814534 -0.323464E+00 -0.279168E+00 10.700 -0.635013386 2197.684 0.006547086 -0.326190E+00 -0.279325E+00 10.800 -0.634372090 2056.936 0.006278873 -0.328971E+00 -0.279513E+00 10.900 -0.633757652 1922.082 0.006010235 -0.331779E+00 -0.279734E+00 11.000 -0.633170058 1793.120 0.005741587 -0.334580E+00 -0.279988E+00 11.100 -0.632609218 1670.030 0.005473436 -0.337339E+00 -0.280275E+00 11.200 -0.632075044 1552.793 0.005206378 -0.340017E+00 -0.280595E+00 11.300 -0.631567554 1441.411 0.004941204 -0.342576E+00 -0.280948E+00 11.400 -0.631086431 1335.817 0.004678640 -0.344977E+00 -0.281334E+00 11.500 -0.630631395 1235.948 0.004419519 -0.347188E+00 -0.281750E+00 11.600 -0.630202041 1141.716 0.004164712 -0.349180E+00 -0.282197E+00 11.700 -0.629797906 1053.019 0.003915094 -0.350931E+00 -0.282672E+00 11.800 -0.629418423 969.732 0.003671517 -0.352426E+00 -0.283175E+00 11.900 -0.629062985 891.722 0.003434897 -0.353661E+00 -0.283702E+00 12.000 -0.628730759 818.807 0.003205897 -0.354641E+00 -0.284253E+00 12.250 -0.627996723 657.705 0.002671374 -0.356073E+00 -0.285719E+00 12.500 -0.627388595 524.236 0.002196589 -0.356393E+00 -0.287293E+00 12.750 -0.626891437 415.122 0.001785417 -0.356161E+00 -0.288948E+00 13.000 -0.626488768 326.747 0.001436010 -0.355919E+00 -0.290680E+00 13.250 -0.626165035 255.696 0.001143986 -0.356138E+00 -0.292480E+00 13.500 -0.625907526 199.179 0.000904212 -0.357099E+00 -0.294343E+00 13.750 -0.625704594 154.640 0.000709818 -0.358759E+00 -0.296269E+00 14.000 -0.625545556 119.736 0.000553440 -0.360748E+00 -0.298245E+00 14.250 -0.625421550 92.520 0.000428611 -0.362391E+00 -0.300238E+00 14.500 -0.625325665 71.475 0.000329917 -0.362776E+00 -0.302190E+00 14.750 -0.625251827 55.270 0.000252569 -0.361182E+00 -0.304038E+00 15.000 -0.625195241 42.850 0.000192570 -0.357364E+00 -0.305717E+00 15.250 -0.625152105 33.383 0.000146643 -0.351761E+00 -0.307173E+00 15.500 -0.625119131 26.146 0.000111627 -0.345168E+00 -0.308390E+00 15.750 -0.625094039 20.639 0.000085309 -0.338586E+00 -0.309368E+00 16.000 -0.625074777 16.412 0.000065464 -0.332624E+00 -0.310133E+00 16.250 -0.625059976 13.163 0.000050593 -0.327662E+00 -0.310718E+00 16.500 -0.625048564 10.659 0.000039414 -0.323740E+00 -0.311155E+00 16.750 -0.625039693 8.712 0.000030966 -0.320751E+00 -0.311482E+00 17.000 -0.625032685 7.174 0.000024492 -0.318509E+00 -0.311728E+00 17.250 -0.625027136 5.956 0.000019528 -0.316866E+00 -0.311912E+00 17.500 -0.625022693 4.981 0.000015678 -0.315666E+00 -0.312050E+00 18.000 -0.625016187 3.553 0.000010290 -0.314164E+00 -0.312231E+00 18.250 -0.625013818 3.033 0.000008422 -0.313712E+00 -0.312289E+00 18.500 -0.625011882 2.608 0.000006941 -0.313387E+00 -0.312333E+00 18.750 -0.625010284 2.257 0.000005753 -0.313152E+00 -0.312366E+00 19.000 -0.625008954 1.965 0.000004797 -0.312982E+00 -0.312392E+00 19.250 -0.625007840 1.721 0.000004020 -0.312857E+00 -0.312412E+00 19.500 -0.625006900 1.514 0.000003388 -0.312766E+00 -0.312428E+00 19.750 -0.625006105 1.340 0.000002871 -0.312699E+00 -0.312441E+00 20.000 -0.625005430 1.192 0.000002448 -0.312649E+00 -0.312451E+00 GK-STATE ENERGIES R E D DE/DR A G 1.000 -0.508065352 -25664.187 -0.515875059 -0.253480E+00 -0.513339E+00 1.010 -0.513141783 -24550.040 -0.499496342 -0.262148E+00 -0.510186E+00 1.012 -0.514137577 -24331.488 -0.496287972 -0.263287E+00 -0.509560E+00 1.014 -0.515126973 -24114.341 -0.493101522 -0.263492E+00 -0.508935E+00 1.016 -0.516110057 -23898.579 -0.489936673 -0.256720E+00 -0.508312E+00 1.018 -0.517086790 -23684.211 -0.486793679 -0.257086E+00 -0.507691E+00 1.020 -0.518057268 -23471.216 -0.483672218 -0.259953E+00 -0.507071E+00 1.022 -0.519021516 -23259.587 -0.480571980 -0.268531E+00 -0.506453E+00 1.024 -0.519979596 -23049.313 -0.477492996 -0.294360E+00 -0.505836E+00 1.026 -0.520931535 -22840.387 -0.474434823 -0.368914E+00 -0.505221E+00 1.028 -0.521877375 -22632.799 -0.471397578 -0.634814E+00 -0.504607E+00 1.030 -0.522817156 -22426.541 -0.468380923 -0.198749E+01 -0.503995E+00 1.032 -0.523750934 -22221.600 -0.465385187 -0.176352E+02 -0.503384E+00 1.034 -0.524678735 -22017.971 -0.462420728 -0.407614E+04 -0.502775E+00 1.036 -0.525608419 -21813.930 -0.465405306 -0.390855E+03 -0.503263E+00 1.038 -0.526536337 -21610.275 -0.462470649 -0.157695E+02 -0.502667E+00 1.040 -0.527458440 -21407.897 -0.459552798 -0.732525E+01 -0.502071E+00 1.042 -0.528374724 -21206.796 -0.456654261 -0.617572E+01 -0.501476E+00 1.044 -0.529285187 -21006.972 -0.453775113 -0.587779E+01 -0.500883E+00 1.046 -0.530189940 -20808.402 -0.450915217 -0.575887E+01 -0.500291E+00 1.048 -0.531088992 -20611.083 -0.448074516 -0.569749E+01 -0.499701E+00 1.050 -0.531982352 -20415.013 -0.445252702 -0.565657E+01 -0.499112E+00 1.060 -0.536365493 -19453.025 -0.431423332 -0.552886E+01 -0.496189E+00 1.070 -0.540612586 -18520.896 -0.418046490 -0.542583E+01 -0.493301E+00 1.080 -0.544728072 -17617.651 -0.405104403 -0.532814E+01 -0.490449E+00 1.090 -0.548716215 -16742.355 -0.392580528 -0.523369E+01 -0.487631E+00 1.100 -0.552581143 -15894.101 -0.380458828 -0.514201E+01 -0.484847E+00 1.200 -0.585252171 -8723.640 -0.278312296 -0.434912E+01 -0.458783E+00 1.300 -0.609139098 -3481.065 -0.203164601 -0.373229E+01 -0.435636E+00 1.400 -0.626517040 332.952 -0.147062537 -0.324307E+01 -0.415019E+00 1.500 -0.639007737 3074.343 -0.104693047 -0.284875E+01 -0.396608E+00 1.600 -0.647791027 5002.052 -0.072411600 -0.252674E+01 -0.380126E+00 1.700 -0.653740612 6307.835 -0.047665239 -0.226093E+01 -0.365340E+00 1.800 -0.657513932 7135.983 -0.028633094 -0.203983E+01 -0.352049E+00 1.900 -0.659613379 7596.758 -0.013999889 -0.185530E+01 -0.340084E+00 2.000 -0.660428175 7775.585 -0.002810678 -0.170212E+01 -0.329304E+00 2.100 -0.660268647 7740.573 0.005613839 -0.157762E+01 -0.319606E+00 2.200 -0.659382686 7546.127 0.011759341 -0.148362E+01 -0.310894E+00 2.300 -0.657983706 7239.086 0.015901325 -0.142931E+01 -0.303139E+00 2.400 -0.656267447 6862.411 0.018088552 -0.144129E+01 -0.296402E+00 2.500 -0.654440692 6461.485 0.018018543 -0.159021E+01 -0.290965E+00 2.600 -0.652769065 6094.605 0.014752599 -0.205483E+01 -0.287648E+00 2.700 -0.651661115 5851.438 0.006329223 -0.318047E+01 -0.288494E+00 2.800 -0.651748152 5870.541 -0.009251388 -0.490569E+01 -0.296940E+00 2.900 -0.653624711 6282.398 -0.027812607 -0.536388E+01 -0.312560E+00 3.000 -0.656983847 7019.643 -0.036876330 -0.439537E+01 -0.324075E+00 3.100 -0.660467958 7784.316 -0.030340077 -0.424449E+01 -0.321255E+00 3.200 -0.662690391 8272.084 -0.013156697 -0.412889E+01 -0.306234E+00 3.300 -0.663101903 8362.401 0.004168878 -0.282769E+01 -0.289827E+00 3.400 -0.662069074 8135.721 0.015413148 -0.154576E+01 -0.278862E+00 3.500 -0.660200912 7725.707 0.021251283 -0.870909E+00 -0.272800E+00 3.600 -0.657924921 7226.185 0.023886531 -0.573052E+00 -0.269579E+00 3.700 -0.655481345 6689.882 0.024776440 -0.442883E+00 -0.267910E+00 3.800 -0.653001819 6145.688 0.024696017 -0.384414E+00 -0.267153E+00 3.900 -0.650560941 5609.978 0.024052023 -0.357970E+00 -0.266993E+00 4.000 -0.648202826 5092.431 0.023068205 -0.346739E+00 -0.267264E+00 4.100 -0.645954350 4598.948 0.021875889 -0.343140E+00 -0.267869E+00 4.200 -0.643831943 4133.133 0.020557694 -0.343490E+00 -0.268744E+00 4.300 -0.641845246 3697.104 0.019169244 -0.345856E+00 -0.269840E+00 4.400 -0.639999193 3291.942 0.017750358 -0.349139E+00 -0.271115E+00 4.500 -0.638295267 2917.974 0.016330994 -0.352674E+00 -0.272531E+00 4.600 -0.636732301 2574.942 0.014934481 -0.356039E+00 -0.274052E+00 4.700 -0.635307054 2262.137 0.013579271 -0.358970E+00 -0.275644E+00 4.800 -0.634014636 1978.484 0.012279910 -0.361313E+00 -0.277276E+00 4.900 -0.632848881 1722.630 0.011047571 -0.362995E+00 -0.278917E+00 5.000 -0.631802656 1493.010 0.009890401 -0.364010E+00 -0.280542E+00 5.100 -0.630868152 1287.911 0.008813795 -0.364396E+00 -0.282127E+00 5.200 -0.630037149 1105.526 0.007820654 -0.364228E+00 -0.283653E+00 5.300 -0.629301248 944.015 0.006911692 -0.363598E+00 -0.285106E+00 5.400 -0.628652073 801.537 0.006085758 -0.362604E+00 -0.286474E+00 5.500 -0.628081444 676.299 0.005340186 -0.361344E+00 -0.287751E+00 5.600 -0.627581508 566.576 0.004671141 -0.359909E+00 -0.288932E+00 5.700 -0.627144842 470.738 0.004073959 -0.358372E+00 -0.290016E+00 5.800 -0.626764514 387.266 0.003543440 -0.356799E+00 -0.291004E+00 5.900 -0.626434132 314.756 0.003074113 -0.355236E+00 -0.291899E+00 6.000 -0.626147852 251.924 0.002660448 -0.353720E+00 -0.292706E+00 6.200 -0.625686961 150.770 0.001978599 -0.350914E+00 -0.294074E+00 6.400 -0.625345723 75.877 0.001457593 -0.348479E+00 -0.295153E+00 6.600 -0.625095550 20.971 0.001062637 -0.346423E+00 -0.295992E+00 6.800 -0.624914203 -18.830 0.000765038 -0.344712E+00 -0.296633E+00 7.000 -0.624784593 -47.276 0.000541866 -0.343295E+00 -0.297115E+00 7.200 -0.624693705 -67.224 0.000375189 -0.342121E+00 -0.297471E+00 7.400 -0.624631682 -80.836 0.000251192 -0.341143E+00 -0.297725E+00 7.600 -0.624591092 -89.745 0.000159337 -0.340324E+00 -0.297900E+00 7.800 -0.624566340 -95.177 0.000091638 -0.339633E+00 -0.298011E+00 8.000 -0.624553229 -98.055 0.000042073 -0.339045E+00 -0.298073E+00 8.250 -0.624548485 -99.096 -0.000001183 -0.338431E+00 -0.298095E+00 8.500 -0.624552585 -98.196 -0.000029574 -0.337925E+00 -0.298068E+00 8.750 -0.624562411 -96.040 -0.000047622 -0.337510E+00 -0.298004E+00 9.000 -0.624575798 -93.102 -0.000058490 -0.337175E+00 -0.297909E+00 9.250 -0.624591243 -89.712 -0.000064395 -0.336912E+00 -0.297788E+00 9.500 -0.624607711 -86.098 -0.000066886 -0.336718E+00 -0.297644E+00 9.750 -0.624624492 -82.414 -0.000067051 -0.336593E+00 -0.297477E+00 10.000 -0.624641106 -78.768 -0.000065646 -0.336541E+00 -0.297286E+00 10.250 -0.624657229 -75.230 -0.000063199 -0.336568E+00 -0.297071E+00 10.500 -0.624672649 -71.845 -0.000060075 -0.336684E+00 -0.296828E+00 10.600 -0.624678588 -70.542 -0.000058695 -0.336760E+00 -0.296722E+00 10.700 -0.624684386 -69.269 -0.000057259 -0.336854E+00 -0.296611E+00 10.800 -0.624690039 -68.029 -0.000055778 -0.336967E+00 -0.296493E+00 10.900 -0.624695541 -66.821 -0.000054260 -0.337102E+00 -0.296370E+00 11.000 -0.624700890 -65.647 -0.000052713 -0.337260E+00 -0.296241E+00 11.100 -0.624706083 -64.507 -0.000051142 -0.337444E+00 -0.296104E+00 11.200 -0.624711117 -63.402 -0.000049553 -0.337656E+00 -0.295960E+00 11.300 -0.624715992 -62.333 -0.000047949 -0.337899E+00 -0.295808E+00 11.400 -0.624720706 -61.298 -0.000046335 -0.338175E+00 -0.295647E+00 11.500 -0.624725257 -60.299 -0.000044712 -0.338489E+00 -0.295478E+00 11.600 -0.624729646 -59.336 -0.000043083 -0.338844E+00 -0.295298E+00 11.700 -0.624733872 -58.408 -0.000041449 -0.339245E+00 -0.295108E+00 11.800 -0.624737933 -57.517 -0.000039813 -0.339696E+00 -0.294907E+00 11.900 -0.624741831 -56.661 -0.000038174 -0.340203E+00 -0.294693E+00 12.000 -0.624745565 -55.842 -0.000036533 -0.340773E+00 -0.294467E+00 12.250 -0.624754179 -53.951 -0.000032425 -0.342511E+00 -0.293841E+00 12.500 -0.624761761 -52.287 -0.000028313 -0.344800E+00 -0.293113E+00 12.750 -0.624768314 -50.849 -0.000024208 -0.347777E+00 -0.292271E+00 13.000 -0.624773827 -49.639 -0.000020134 -0.351586E+00 -0.291298E+00 13.250 -0.624778284 -48.661 -0.000016118 -0.356367E+00 -0.290178E+00 13.500 -0.624781722 -47.906 -0.000012231 -0.362150E+00 -0.288906E+00 13.750 -0.624784211 -47.360 -0.000008618 -0.368748E+00 -0.287489E+00 14.000 -0.624785825 -47.006 -0.000005461 -0.375699E+00 -0.285948E+00 14.250 -0.624786685 -46.817 -0.000002970 -0.382227E+00 -0.284320E+00 14.500 -0.624787006 -46.747 -0.000001386 -0.387281E+00 -0.282672E+00 14.750 -0.624787020 -46.744 -0.000000857 -0.389999E+00 -0.281075E+00 15.000 -0.624787003 -46.747 -0.000001426 -0.389999E+00 -0.279602E+00 15.250 -0.624787258 -46.691 -0.000002958 -0.387617E+00 -0.278313E+00 15.500 -0.624787963 -46.537 -0.000005234 -0.383632E+00 -0.277231E+00 15.750 -0.624789337 -46.235 -0.000007892 -0.379061E+00 -0.276363E+00 16.000 -0.624791397 -45.783 -0.000010663 -0.374598E+00 -0.275686E+00 16.250 -0.624794184 -45.171 -0.000013270 -0.370710E+00 -0.275172E+00 16.500 -0.624797656 -44.409 -0.000015564 -0.367524E+00 -0.274789E+00 16.750 -0.624801705 -43.521 -0.000017459 -0.365023E+00 -0.274508E+00 17.000 -0.624806179 -42.539 -0.000018961 -0.363091E+00 -0.274298E+00 17.250 -0.624811008 -41.479 -0.000020062 -0.361626E+00 -0.274144E+00 17.500 -0.624816074 -40.367 -0.000020815 -0.360513E+00 -0.274030E+00 18.000 -0.624826578 -38.062 -0.000021462 -0.359004E+00 -0.273879E+00 18.250 -0.624831907 -36.892 -0.000021435 -0.358492E+00 -0.273829E+00 18.500 -0.624837220 -35.726 -0.000021232 -0.358085E+00 -0.273791E+00 18.750 -0.624842470 -34.574 -0.000020897 -0.357754E+00 -0.273761E+00 19.000 -0.624847625 -33.443 -0.000020461 -0.357477E+00 -0.273737E+00 19.250 -0.624852660 -32.337 -0.000019952 -0.357242E+00 -0.273717E+00 19.500 -0.624857560 -31.262 -0.000019391 -0.357037E+00 -0.273701E+00 19.750 -0.624862317 -30.218 -0.000018793 -0.356855E+00 -0.273688E+00 20.000 -0.624866924 -29.207 -0.000018172 -0.356692E+00 -0.273676E+00 H-STATE ENERGIES R E D DE/DR A G 1.000 -0.507857287 -10468.559 -0.521866152 -0.618725E+01 -0.514278E+00 1.010 -0.512991424 -9341.747 -0.505470971 -0.607820E+01 -0.511165E+00 1.012 -0.513998533 -9120.712 -0.502258936 -0.605628E+01 -0.510547E+00 1.014 -0.514999526 -8901.019 -0.499069920 -0.603353E+01 -0.509932E+00 1.016 -0.515994909 -8682.558 -0.495905231 -0.600396E+01 -0.509319E+00 1.018 -0.516984257 -8465.421 -0.492762240 -0.598150E+01 -0.508708E+00 1.020 -0.517967362 -8249.654 -0.489640428 -0.596166E+01 -0.508097E+00 1.022 -0.518944171 -8035.270 -0.486539646 -0.594764E+01 -0.507489E+00 1.024 -0.519914643 -7822.276 -0.483459911 -0.595098E+01 -0.506881E+00 1.026 -0.520878842 -7610.658 -0.480400432 -0.600314E+01 -0.506275E+00 1.028 -0.521836874 -7400.395 -0.477361449 -0.624668E+01 -0.505670E+00 1.030 -0.522788806 -7191.470 -0.474342864 -0.757687E+01 -0.505067E+00 1.032 -0.523734665 -6983.878 -0.471344197 -0.232010E+02 -0.504465E+00 1.034 -0.524674486 -6777.611 -0.468354604 -0.408165E+04 -0.503864E+00 1.036 -0.525600595 -6574.354 -0.459456403 -0.385334E+03 -0.502170E+00 1.038 -0.526516569 -6373.321 -0.456517081 -0.102654E+02 -0.501562E+00 1.040 -0.527426695 -6173.571 -0.453600507 -0.184223E+01 -0.500957E+00 1.042 -0.528331001 -5975.099 -0.450703756 -0.713912E+00 -0.500354E+00 1.044 -0.529229538 -5777.893 -0.447826570 -0.437086E+00 -0.499752E+00 1.046 -0.530122334 -5581.947 -0.444968676 -0.339158E+00 -0.499152E+00 1.048 -0.531009442 -5387.249 -0.442130016 -0.298652E+00 -0.498553E+00 1.050 -0.531890880 -5193.796 -0.439310275 -0.278476E+00 -0.497956E+00 1.060 -0.536214527 -4244.865 -0.425491381 -0.252684E+00 -0.494991E+00 1.070 -0.540402245 -3325.767 -0.412125035 -0.248681E+00 -0.492062E+00 1.080 -0.544458483 -2435.526 -0.399193610 -0.247242E+00 -0.489168E+00 1.090 -0.548387510 -1573.204 -0.386680344 -0.246394E+00 -0.486310E+00 1.100 -0.552193425 -737.902 -0.374569121 -0.245762E+00 -0.483486E+00 1.200 -0.584280368 6304.367 -0.272520350 -0.241091E+00 -0.457037E+00 1.300 -0.607592790 11420.852 -0.197458547 -0.236710E+00 -0.433540E+00 1.400 -0.624403976 15110.481 -0.141426268 -0.232587E+00 -0.412608E+00 1.500 -0.636333766 17728.767 -0.099105111 -0.228563E+00 -0.393920E+00 1.600 -0.644559615 19534.132 -0.066844694 -0.225021E+00 -0.377199E+00 1.700 -0.649952356 20717.702 -0.042084930 -0.221997E+00 -0.362216E+00 1.800 -0.653165449 21422.894 -0.022994887 -0.219644E+00 -0.348776E+00 1.900 -0.654695897 21758.789 -0.008243684 -0.218247E+00 -0.336715E+00 2.000 -0.654926063 21809.304 0.003149594 -0.218330E+00 -0.325898E+00 2.100 -0.654153552 21639.758 0.011915008 -0.220862E+00 -0.316213E+00 2.200 -0.652612453 21301.526 0.018599934 -0.227910E+00 -0.307575E+00 2.300 -0.650489352 20835.559 0.023613046 -0.244012E+00 -0.299927E+00 2.400 -0.647935744 20275.107 0.027250770 -0.280047E+00 -0.293252E+00 2.500 -0.645078637 19648.044 0.029705851 -0.364676E+00 -0.287602E+00 2.600 -0.642031565 18979.289 0.031048847 -0.581395E+00 -0.283158E+00 2.700 -0.638909553 18294.087 0.031163080 -0.119178E+01 -0.280380E+00 2.800 -0.635852659 17623.176 0.029662320 -0.292149E+01 -0.280223E+00 2.900 -0.633038284 17005.492 0.026415130 -0.608873E+01 -0.283455E+00 3.000 -0.630550821 16459.557 0.023755151 -0.619438E+01 -0.286764E+00 3.100 -0.628184784 15940.272 0.023946594 -0.334305E+01 -0.285512E+00 3.200 -0.625728128 15401.099 0.025194827 -0.173771E+01 -0.281644E+00 3.300 -0.623159817 14837.420 0.026081766 -0.112064E+01 -0.277660E+00 3.400 -0.620531830 14260.643 0.026395881 -0.872069E+00 -0.274306E+00 3.500 -0.617896700 13682.299 0.026249142 -0.756510E+00 -0.271649E+00 3.600 -0.615293824 13111.034 0.025770552 -0.693796E+00 -0.269611E+00 3.700 -0.612751256 12553.005 0.025057163 -0.654625E+00 -0.268098E+00 3.800 -0.610288663 12012.528 0.024178420 -0.627185E+00 -0.267033E+00 3.900 -0.607919983 11492.663 0.023183723 -0.606242E+00 -0.266350E+00 4.000 -0.605654911 10995.537 0.022109185 -0.589245E+00 -0.265998E+00 4.100 -0.603500009 10522.591 0.020981995 -0.574826E+00 -0.265936E+00 4.200 -0.601459454 10074.741 0.019823356 -0.562199E+00 -0.266125E+00 4.300 -0.599535530 9652.488 0.018649987 -0.550879E+00 -0.266536E+00 4.400 -0.597729043 9256.010 0.017475119 -0.540569E+00 -0.267140E+00 4.500 -0.596039622 8885.225 0.016308933 -0.531091E+00 -0.267914E+00 4.600 -0.594466047 8539.865 0.015158981 -0.522375E+00 -0.268837E+00 4.700 -0.593006415 8219.513 0.014030126 -0.514421E+00 -0.269893E+00 4.800 -0.591658482 7923.676 0.012925299 -0.507315E+00 -0.271070E+00 4.900 -0.590419785 7651.813 0.011845180 -0.501163E+00 -0.272359E+00 5.000 -0.589287898 7403.393 0.010788999 -0.496100E+00 -0.273753E+00 5.100 -0.588260531 7177.912 0.009754455 -0.492240E+00 -0.275249E+00 5.200 -0.587335657 6974.926 0.008738791 -0.489667E+00 -0.276846E+00 5.300 -0.586511543 6794.054 0.007738915 -0.488397E+00 -0.278542E+00 5.400 -0.585786771 6634.985 0.006752087 -0.488370E+00 -0.280333E+00 5.500 -0.585160140 6497.455 0.005776148 -0.489432E+00 -0.282217E+00 5.600 -0.584630631 6381.241 0.004810157 -0.491348E+00 -0.284185E+00 5.700 -0.584197248 6286.125 0.003854434 -0.493805E+00 -0.286228E+00 5.800 -0.583858879 6211.861 0.002910817 -0.496442E+00 -0.288332E+00 5.900 -0.583614171 6158.154 0.001982655 -0.498876E+00 -0.290477E+00 6.000 -0.583461341 6124.612 0.001074609 -0.500741E+00 -0.292643E+00 6.200 -0.583421555 6115.880 -0.000657465 -0.501615E+00 -0.296941E+00 6.400 -0.583713603 6179.977 -0.002234000 -0.497704E+00 -0.301028E+00 6.600 -0.584301394 6308.982 -0.003607107 -0.489257E+00 -0.304730E+00 6.800 -0.585140631 6493.173 -0.004744107 -0.477664E+00 -0.307925E+00 7.000 -0.586182499 6721.837 -0.005632703 -0.464633E+00 -0.310556E+00 7.200 -0.587377687 6984.150 -0.006279532 -0.451570E+00 -0.312624E+00 7.400 -0.588679688 7269.906 -0.006704866 -0.439341E+00 -0.314166E+00 7.600 -0.590046888 7569.972 -0.006936498 -0.428344E+00 -0.315243E+00 7.800 -0.591443518 7876.497 -0.007004813 -0.418665E+00 -0.315919E+00 8.000 -0.592840002 8182.990 -0.006939168 -0.410226E+00 -0.316260E+00 8.250 -0.594549157 8558.106 -0.006709172 -0.401209E+00 -0.316305E+00 8.500 -0.596184555 8917.034 -0.006355593 -0.393624E+00 -0.316016E+00 8.750 -0.597719835 9253.989 -0.005913378 -0.387229E+00 -0.315474E+00 9.000 -0.599136322 9564.872 -0.005409006 -0.381839E+00 -0.314737E+00 9.250 -0.600420997 9846.826 -0.004861692 -0.377330E+00 -0.313851E+00 9.500 -0.601564903 10097.884 -0.004284779 -0.373618E+00 -0.312847E+00 9.750 -0.602561819 10316.682 -0.003687067 -0.370648E+00 -0.311745E+00 10.000 -0.603407271 10502.237 -0.003074090 -0.368370E+00 -0.310554E+00 10.250 -0.604097917 10653.816 -0.002449415 -0.366707E+00 -0.309276E+00 10.500 -0.604631139 10770.845 -0.001815927 -0.365518E+00 -0.307907E+00 10.600 -0.604799927 10807.890 -0.001560817 -0.365125E+00 -0.307333E+00 10.700 -0.604943059 10839.304 -0.001305100 -0.364750E+00 -0.306744E+00 10.800 -0.605060627 10865.107 -0.001049199 -0.364370E+00 -0.306138E+00 10.900 -0.605152641 10885.301 -0.000793531 -0.363956E+00 -0.305516E+00 11.000 -0.605219055 10899.878 -0.000538592 -0.363480E+00 -0.304879E+00 11.100 -0.605259802 10908.821 -0.000284902 -0.362913E+00 -0.304226E+00 11.200 -0.605274975 10912.151 -0.000033087 -0.362219E+00 -0.303558E+00 11.300 -0.605265258 10910.018 0.000215979 -0.361372E+00 -0.302875E+00 11.400 -0.605230690 10902.431 0.000461577 -0.360342E+00 -0.302179E+00 11.500 -0.605171704 10889.485 0.000702837 -0.359108E+00 -0.301472E+00 11.600 -0.605088718 10871.272 0.000938938 -0.357651E+00 -0.300754E+00 11.700 -0.604982312 10847.919 0.001168963 -0.355960E+00 -0.300029E+00 11.800 -0.604853110 10819.562 0.001391987 -0.354033E+00 -0.299299E+00 11.900 -0.604701999 10786.397 0.001607359 -0.351878E+00 -0.298565E+00 12.000 -0.604529322 10748.499 0.001814231 -0.349505E+00 -0.297832E+00 12.250 -0.604011041 10634.749 0.002290062 -0.342784E+00 -0.296013E+00 12.500 -0.603377930 10495.797 0.002701828 -0.335321E+00 -0.294244E+00 12.750 -0.602649860 10336.005 0.003046172 -0.327679E+00 -0.292559E+00 13.000 -0.601834388 10157.029 0.003322956 -0.320322E+00 -0.290997E+00 13.250 -0.600932713 9959.134 0.003543077 -0.313484E+00 -0.289528E+00 13.500 -0.599966801 9747.141 0.003717177 -0.307341E+00 -0.288131E+00 13.750 -0.598958340 9525.810 0.003846806 -0.302031E+00 -0.286825E+00 14.000 -0.597909116 9295.532 0.003938679 -0.297490E+00 -0.285609E+00 14.250 -0.596816046 9055.631 0.004003839 -0.293588E+00 -0.284455E+00 14.500 -0.595695166 8809.626 0.004039497 -0.290308E+00 -0.283396E+00 14.750 -0.594540723 8556.255 0.004055225 -0.287504E+00 -0.282391E+00 15.000 -0.593354077 8295.816 0.004054922 -0.285070E+00 -0.281417E+00 15.250 -0.592158684 8033.458 0.004043287 -0.282925E+00 -0.280464E+00 15.500 -0.590924191 7762.518 0.004019455 -0.280973E+00 -0.279476E+00 15.750 -0.589706084 7495.174 0.003990560 -0.279255E+00 -0.278509E+00 16.000 -0.588464408 7222.658 0.003961398 -0.277647E+00 -0.277523E+00 16.250 -0.587246830 6955.431 0.003939230 -0.276013E+00 -0.276439E+00 16.500 -0.586067017 6696.491 0.003904499 -0.274694E+00 -0.275534E+00 16.750 -0.584951755 6451.720 0.003853732 -0.273637E+00 -0.274824E+00 17.000 -0.583811961 6201.564 0.003815273 -0.272468E+00 -0.273973E+00 17.250 -0.582715960 5961.019 0.003769037 -0.271568E+00 -0.273253E+00 17.500 -0.581633730 5723.497 0.003719606 -0.270665E+00 -0.272564E+00 18.000 -0.579383417 5229.611 0.003661426 -0.268449E+00 -0.270611E+00 18.250 -0.578275248 4986.396 0.003635660 -0.267288E+00 -0.269548E+00 18.500 -0.577227778 4756.503 0.003591584 -0.266338E+00 -0.268674E+00 18.750 -0.576173596 4525.137 0.003535153 -0.265471E+00 -0.267879E+00 19.000 -0.575073597 4283.715 0.003481649 -0.264542E+00 -0.267054E+00 19.250 -0.573944631 4035.935 0.003406109 -0.263980E+00 -0.266447E+00 19.500 -0.572758333 3775.573 0.003341561 -0.263335E+00 -0.265719E+00 19.750 -0.571529456 3505.866 0.003270095 -0.262823E+00 -0.264962E+00 20.000 -0.570324253 3241.354 0.003192856 -0.262463E+00 -0.264275E+00 S5-STATE ENERGIES R E D DE/DR A G 1.000 -0.483309219 -15856.237 -0.518817761 -0.264377E+00 -0.501642E+00 1.010 -0.488415310 -14735.580 -0.502426251 -0.369042E+00 -0.498512E+00 1.012 -0.489417005 -14515.733 -0.499215277 -0.432819E+00 -0.497891E+00 1.014 -0.490412308 -14297.290 -0.496026337 -0.581544E+00 -0.497271E+00 1.016 -0.491401264 -14080.239 -0.492859281 -0.976047E+00 -0.496653E+00 1.018 -0.492383883 -13864.579 -0.489713852 -0.384568E+01 -0.496036E+00 1.020 -0.493360231 -13650.295 -0.486590362 -0.600250E+02 -0.495421E+00 1.022 -0.494330382 -13437.372 -0.483723925 -0.448987E+07 -0.494850E+00 1.024 -0.495299419 -13224.693 -0.482883091 -0.101225E+03 -0.494577E+00 1.026 -0.496262405 -13013.342 -0.479825026 -0.116942E+02 -0.493971E+00 1.028 -0.497219336 -12803.320 -0.476790541 -0.691351E+01 -0.493368E+00 1.030 -0.498170167 -12594.636 -0.473774397 -0.614706E+01 -0.492766E+00 1.032 -0.499114942 -12387.282 -0.470778588 -0.593435E+01 -0.492165E+00 1.034 -0.500053788 -12181.229 -0.467804546 -0.584495E+01 -0.491566E+00 1.036 -0.500986707 -11976.477 -0.464851840 -0.579811E+01 -0.490969E+00 1.038 -0.501913642 -11773.038 -0.461918587 -0.576567E+01 -0.490374E+00 1.040 -0.502834677 -11570.895 -0.459003251 -0.573944E+01 -0.489779E+00 1.042 -0.503749906 -11370.025 -0.456107926 -0.571559E+01 -0.489186E+00 1.044 -0.504659343 -11170.427 -0.453232611 -0.569301E+01 -0.488594E+00 1.046 -0.505563029 -10972.091 -0.450376106 -0.567124E+01 -0.488004E+00 1.048 -0.506461020 -10775.004 -0.447541407 -0.565004E+01 -0.487416E+00 1.050 -0.507353352 -10579.160 -0.444722625 -0.562891E+01 -0.486829E+00 1.060 -0.511731204 -9618.333 -0.430908708 -0.552616E+01 -0.483914E+00 1.070 -0.515973159 -8687.331 -0.417547986 -0.542657E+01 -0.481035E+00 1.080 -0.520083489 -7785.218 -0.404617569 -0.532985E+01 -0.478190E+00 1.090 -0.524066069 -6911.143 -0.392101099 -0.523567E+01 -0.475377E+00 1.100 -0.527924914 -6064.225 -0.379982653 -0.514412E+01 -0.472596E+00 1.200 -0.560528775 1091.495 -0.277807809 -0.435173E+01 -0.446525E+00 1.300 -0.584343764 6318.281 -0.202594163 -0.373441E+01 -0.423352E+00 1.400 -0.601645062 10115.477 -0.146331701 -0.337950E+01 -0.402644E+00 1.500 -0.614049795 12838.001 -0.103933829 -0.285036E+01 -0.384245E+00 1.600 -0.622744249 14746.213 -0.071537520 -0.252880E+01 -0.367720E+00 1.700 -0.628597383 16030.827 -0.046671920 -0.226334E+01 -0.352898E+00 1.800 -0.632256221 16833.849 -0.027490894 -0.204380E+01 -0.339556E+00 1.900 -0.634223894 17265.704 -0.012693966 -0.186072E+01 -0.327552E+00 2.000 -0.634885512 17410.912 -0.001323851 -0.171181E+01 -0.316737E+00 2.100 -0.634545762 17336.346 0.007264082 -0.159168E+01 -0.307047E+00 2.200 -0.633450646 17095.995 0.013564422 -0.150970E+01 -0.298402E+00 2.300 -0.631818426 16737.765 0.017909010 -0.148987E+01 -0.290743E+00 2.400 -0.629846864 16305.057 0.020317812 -0.161035E+01 -0.284182E+00 2.500 -0.627752186 15845.328 0.020248886 -0.213011E+01 -0.279276E+00 2.600 -0.625858991 15429.820 0.016074597 -0.387563E+01 -0.277819E+00 2.700 -0.624709065 15177.440 0.005505003 -0.798039E+01 -0.283849E+00 2.800 -0.624736909 15183.551 -0.004442982 -0.104681E+02 -0.295231E+00 2.900 -0.624966406 15233.920 0.002761136 -0.959310E+01 -0.292681E+00 3.000 -0.623917301 15003.668 0.017819520 -0.663699E+01 -0.277289E+00 3.100 -0.621621346 14499.764 0.026885496 -0.288205E+01 -0.265068E+00 3.200 -0.618721033 13863.219 0.030512100 -0.117872E+01 -0.258185E+00 3.300 -0.615598856 13177.981 0.031674029 -0.597841E+00 -0.254048E+00 3.400 -0.612421250 12480.577 0.031756542 -0.391586E+00 -0.251242E+00 3.500 -0.609264906 11787.839 0.031304772 -0.310650E+00 -0.249200E+00 3.600 -0.606170160 11108.621 0.030552629 -0.276385E+00 -0.247683E+00 3.700 -0.603160580 10448.095 0.029615171 -0.261644E+00 -0.246574E+00 3.800 -0.600251148 9809.548 0.028557246 -0.255967E+00 -0.245807E+00 3.900 -0.597451754 9195.152 0.027419404 -0.254894E+00 -0.245341E+00 4.000 -0.594768919 8606.338 0.026229435 -0.256327E+00 -0.245144E+00 4.100 -0.592206770 8044.011 0.025007843 -0.259180E+00 -0.245189E+00 4.200 -0.589767638 7508.684 0.023770560 -0.262834E+00 -0.245452E+00 4.300 -0.587452426 7000.553 0.022530360 -0.266902E+00 -0.245912E+00 4.400 -0.585260873 6519.563 0.021297908 -0.271128E+00 -0.246547E+00 4.500 -0.583191742 6065.442 0.020082076 -0.275348E+00 -0.247336E+00 4.600 -0.581243001 5637.742 0.018890313 -0.279467E+00 -0.248259E+00 4.700 -0.579411891 5235.860 0.017728604 -0.283448E+00 -0.249294E+00 4.800 -0.577695198 4859.090 0.016602255 -0.287298E+00 -0.250422E+00 4.900 -0.576089160 4506.605 0.015515242 -0.291069E+00 -0.251623E+00 5.000 -0.574589728 4177.518 0.014470944 -0.294840E+00 -0.252877E+00 5.100 -0.573192438 3870.848 0.013471617 -0.298699E+00 -0.254168E+00 5.200 -0.571892735 3585.596 0.012519266 -0.302721E+00 -0.255478E+00 5.300 -0.570685853 3320.716 0.011615206 -0.306962E+00 -0.256789E+00 5.400 -0.569566948 3075.145 0.010760430 -0.311442E+00 -0.258087E+00 5.500 -0.568531056 2847.793 0.009955351 -0.316132E+00 -0.259357E+00 5.600 -0.567573215 2637.571 0.009200174 -0.320964E+00 -0.260587E+00 5.700 -0.566688449 2443.388 0.008494685 -0.325823E+00 -0.261765E+00 5.800 -0.565871814 2264.157 0.007838297 -0.330559E+00 -0.262881E+00 5.900 -0.565118464 2098.816 0.007230119 -0.335011E+00 -0.263929E+00 6.000 -0.564423608 1946.312 0.006668713 -0.338999E+00 -0.264903E+00 6.200 -0.563191224 1675.835 0.005678983 -0.344994E+00 -0.266620E+00 6.400 -0.562140395 1445.205 0.004850812 -0.347713E+00 -0.268035E+00 6.600 -0.561240979 1247.806 0.004161605 -0.347085E+00 -0.269181E+00 6.800 -0.560467558 1078.060 0.003587181 -0.343731E+00 -0.270110E+00 7.000 -0.559799474 931.432 0.003104704 -0.338645E+00 -0.270874E+00 7.200 -0.559220344 804.328 0.002694706 -0.332821E+00 -0.271524E+00 7.400 -0.558717264 693.915 0.002341900 -0.327014E+00 -0.272096E+00 7.600 -0.558279993 597.945 0.002035033 -0.321677E+00 -0.272617E+00 7.800 -0.557900193 514.588 0.001766100 -0.317009E+00 -0.273100E+00 8.000 -0.557570885 442.314 0.001529477 -0.313044E+00 -0.273555E+00 8.250 -0.557221128 365.551 0.001273024 -0.308985E+00 -0.274085E+00 8.500 -0.556930618 301.791 0.001054844 -0.305755E+00 -0.274574E+00 8.750 -0.556690388 249.067 0.000870240 -0.303172E+00 -0.275019E+00 9.000 -0.556492562 205.649 0.000715132 -0.301092E+00 -0.275421E+00 9.250 -0.556330240 170.024 0.000585767 -0.299403E+00 -0.275778E+00 9.500 -0.556197431 140.875 0.000478638 -0.298020E+00 -0.276092E+00 9.750 -0.556088989 117.075 0.000390497 -0.296877E+00 -0.276366E+00 10.000 -0.556000540 97.663 0.000318385 -0.295918E+00 -0.276602E+00 10.250 -0.555928413 81.833 0.000259665 -0.295092E+00 -0.276804E+00 10.500 -0.555869552 68.914 0.000212028 -0.294358E+00 -0.276976E+00 10.600 -0.555849141 64.435 0.000195621 -0.294081E+00 -0.277037E+00 10.700 -0.555830304 60.300 0.000180551 -0.293812E+00 -0.277094E+00 10.800 -0.555812915 56.484 0.000166717 -0.293549E+00 -0.277147E+00 10.900 -0.555796853 52.959 0.000154018 -0.293290E+00 -0.277197E+00 11.000 -0.555782009 49.701 0.000142364 -0.293035E+00 -0.277243E+00 11.100 -0.555768283 46.688 0.000131670 -0.292783E+00 -0.277286E+00 11.200 -0.555755582 43.901 0.000121850 -0.292532E+00 -0.277325E+00 11.300 -0.555743824 41.320 0.000112846 -0.292285E+00 -0.277362E+00 11.400 -0.555732930 38.929 0.000104583 -0.292039E+00 -0.277396E+00 11.500 -0.555722829 36.712 0.000097000 -0.291796E+00 -0.277428E+00 11.600 -0.555713450 34.654 0.000090028 -0.291555E+00 -0.277457E+00 11.700 -0.555704744 32.743 0.000083635 -0.291317E+00 -0.277484E+00 11.800 -0.555696650 30.967 0.000077759 -0.291081E+00 -0.277509E+00 11.900 -0.555689123 29.315 0.000072367 -0.290850E+00 -0.277532E+00 12.000 -0.555682112 27.776 0.000067409 -0.290622E+00 -0.277553E+00 12.250 -0.555666584 24.368 0.000056677 -0.290070E+00 -0.277599E+00 12.500 -0.555653480 21.492 0.000047946 -0.289546E+00 -0.277636E+00 12.750 -0.555642360 19.051 0.000040826 -0.289060E+00 -0.277666E+00 13.000 -0.555632873 16.969 0.000035023 -0.288615E+00 -0.277689E+00 13.250 -0.555624714 15.179 0.000030239 -0.288208E+00 -0.277708E+00 13.500 -0.555617646 13.627 0.000026253 -0.287830E+00 -0.277722E+00 13.750 -0.555611492 12.277 0.000022921 -0.287482E+00 -0.277734E+00 14.000 -0.555606107 11.095 0.000020121 -0.287162E+00 -0.277743E+00 14.250 -0.555601365 10.054 0.000017750 -0.286863E+00 -0.277750E+00 14.500 -0.555597176 9.135 0.000015735 -0.286588E+00 -0.277755E+00 14.750 -0.555593454 8.318 0.000014002 -0.286329E+00 -0.277759E+00 15.000 -0.555590135 7.589 0.000012509 -0.286087E+00 -0.277761E+00 15.250 -0.555587165 6.938 0.000011212 -0.285860E+00 -0.277763E+00 15.500 -0.555584498 6.352 0.000010080 -0.285644E+00 -0.277764E+00 15.750 -0.555582097 5.825 0.000009090 -0.285440E+00 -0.277765E+00 16.000 -0.555579930 5.350 0.000008217 -0.285247E+00 -0.277765E+00 16.250 -0.555577968 4.919 0.000007445 -0.285063E+00 -0.277764E+00 16.500 -0.555576188 4.528 0.000006758 -0.284887E+00 -0.277764E+00 16.750 -0.555574570 4.173 0.000006144 -0.284719E+00 -0.277763E+00 17.000 -0.555573100 3.850 0.000005597 -0.284558E+00 -0.277761E+00 17.250 -0.555571758 3.556 0.000005107 -0.284405E+00 -0.277760E+00 17.500 -0.555570533 3.287 0.000004666 -0.284257E+00 -0.277759E+00 18.000 -0.555568388 2.817 0.000003908 -0.283980E+00 -0.277755E+00 18.250 -0.555567448 2.610 0.000003582 -0.283849E+00 -0.277753E+00 18.500 -0.555566586 2.421 0.000003286 -0.283722E+00 -0.277751E+00 18.750 -0.555565792 2.247 0.000003017 -0.283600E+00 -0.277750E+00 19.000 -0.555565063 2.087 0.000002771 -0.283482E+00 -0.277748E+00 19.250 -0.555564393 1.940 0.000002549 -0.283370E+00 -0.277746E+00 19.500 -0.555563777 1.804 0.000002347 -0.283262E+00 -0.277744E+00 19.750 -0.555563208 1.680 0.000002162 -0.283157E+00 -0.277742E+00 20.000 -0.555562684 1.564 0.000001992 -0.283056E+00 -0.277741E+00 S6-STATE ENERGIES R E D DE/DR A G 1.000 -0.483247664 -15869.747 -0.521211457 -0.620610E+01 -0.501934E+00 1.010 -0.488381729 -14742.950 -0.504843109 -0.619302E+01 -0.498835E+00 1.012 -0.489389046 -14521.869 -0.501642249 -0.623356E+01 -0.498223E+00 1.014 -0.490390113 -14302.161 -0.498468039 -0.635927E+01 -0.497614E+00 1.016 -0.491384885 -14083.834 -0.495315013 -0.673082E+01 -0.497007E+00 1.018 -0.492373027 -13866.961 -0.492178531 -0.957773E+01 -0.496399E+00 1.020 -0.493354685 -13651.512 -0.489057641 -0.657330E+02 -0.495789E+00 1.022 -0.494330039 -13437.447 -0.485721213 -0.448987E+07 -0.495138E+00 1.024 -0.495294292 -13225.818 -0.480406257 -0.955681E+02 -0.494194E+00 1.026 -0.496252084 -13015.607 -0.477344822 -0.605481E+01 -0.493584E+00 1.028 -0.497203769 -12806.736 -0.474304720 -0.129508E+01 -0.492974E+00 1.030 -0.498149397 -12599.195 -0.471285366 -0.550111E+00 -0.492367E+00 1.032 -0.499089005 -12392.975 -0.468286450 -0.358995E+00 -0.491760E+00 1.034 -0.500022630 -12188.068 -0.465307810 -0.291164E+00 -0.491156E+00 1.036 -0.500950336 -11984.460 -0.462349351 -0.265716E+00 -0.490553E+00 1.038 -0.501872121 -11782.151 -0.459410735 -0.254691E+00 -0.489951E+00 1.040 -0.502788055 -11581.127 -0.456491922 -0.249749E+00 -0.489350E+00 1.042 -0.503698171 -11381.380 -0.453592748 -0.247084E+00 -0.488752E+00 1.044 -0.504602502 -11182.902 -0.450713027 -0.245540E+00 -0.488154E+00 1.046 -0.505501097 -10985.683 -0.447852615 -0.244720E+00 -0.487558E+00 1.048 -0.506394000 -10789.714 -0.445011368 -0.244312E+00 -0.486964E+00 1.050 -0.507281222 -10594.991 -0.442189084 -0.243947E+00 -0.486371E+00 1.060 -0.511633701 -9639.732 -0.428357267 -0.243092E+00 -0.483428E+00 1.070 -0.515850134 -8714.332 -0.414978045 -0.242564E+00 -0.480521E+00 1.080 -0.519934945 -7817.820 -0.402033678 -0.242063E+00 -0.477649E+00 1.090 -0.523892395 -6949.260 -0.389507310 -0.241625E+00 -0.474811E+00 1.100 -0.527726592 -6107.751 -0.377383088 -0.241262E+00 -0.472008E+00 1.200 -0.560087944 994.744 -0.275202040 -0.237017E+00 -0.445755E+00 1.300 -0.583661334 6168.505 -0.200010660 -0.232351E+00 -0.422434E+00 1.400 -0.600720862 9912.639 -0.143835884 -0.252854E+00 -0.401647E+00 1.500 -0.612885514 12582.471 -0.101391393 -0.224251E+00 -0.383100E+00 1.600 -0.621334070 14436.714 -0.068998753 -0.221231E+00 -0.366491E+00 1.700 -0.626936306 15666.263 -0.044111601 -0.218501E+00 -0.351601E+00 1.800 -0.630345393 16414.471 -0.024891616 -0.216475E+00 -0.338230E+00 1.900 -0.632058565 16790.469 -0.010006051 -0.215725E+00 -0.326210E+00 2.000 -0.632457557 16878.037 0.001526378 -0.216847E+00 -0.315403E+00 2.100 -0.631838561 16742.184 0.010437681 -0.221440E+00 -0.305694E+00 2.200 -0.630434674 16434.066 0.017278029 -0.233035E+00 -0.296992E+00 2.300 -0.628430071 15994.107 0.022459110 -0.258724E+00 -0.289230E+00 2.400 -0.625973877 15455.034 0.026297678 -0.316970E+00 -0.282362E+00 2.500 -0.623188030 14843.612 0.029015750 -0.461478E+00 -0.276391E+00 2.600 -0.620177928 14182.971 0.030733001 -0.873916E+00 -0.271419E+00 2.700 -0.617045169 13495.409 0.031411106 -0.220756E+01 -0.267789E+00 2.800 -0.613902415 12805.655 0.030840025 -0.599649E+01 -0.266181E+00 2.900 -0.610838900 12133.291 0.029613738 -0.875199E+01 -0.265959E+00 3.000 -0.607841139 11475.359 0.029414259 -0.509655E+01 -0.264058E+00 3.100 -0.604822655 10812.878 0.029933925 -0.231363E+01 -0.260488E+00 3.200 -0.601764821 10141.761 0.030315223 -0.131341E+01 -0.256773E+00 3.300 -0.598690091 9466.936 0.030337140 -0.960681E+00 -0.253513E+00 3.400 -0.595637817 8797.039 0.030060583 -0.811318E+00 -0.250756E+00 3.500 -0.592634999 8137.997 0.029562213 -0.734931E+00 -0.248445E+00 3.600 -0.589697730 7493.341 0.028868150 -0.688516E+00 -0.246595E+00 3.700 -0.586835791 6865.218 0.028013740 -0.655741E+00 -0.245168E+00 3.800 -0.584061318 6256.291 0.027057378 -0.630555E+00 -0.244076E+00 3.900 -0.581384303 5668.755 0.026027136 -0.609885E+00 -0.243283E+00 4.000 -0.578810210 5103.806 0.024938524 -0.592178E+00 -0.242768E+00 4.100 -0.576342004 4562.098 0.023804597 -0.576744E+00 -0.242513E+00 4.200 -0.573982703 4044.291 0.022642523 -0.563410E+00 -0.242486E+00 4.300 -0.571734276 3550.818 0.021456882 -0.551952E+00 -0.242676E+00 4.400 -0.569599538 3082.298 0.020267895 -0.543012E+00 -0.243043E+00 4.500 -0.567577653 2638.545 0.019076216 -0.537300E+00 -0.243584E+00 4.600 -0.565670898 2220.061 0.017882616 -0.536257E+00 -0.244297E+00 4.700 -0.563875352 1825.984 0.016662720 -0.541843E+00 -0.245234E+00 4.800 -0.562203102 1458.968 0.015443610 -0.558592E+00 -0.246325E+00 4.900 -0.560652534 1118.657 0.014187536 -0.592249E+00 -0.247651E+00 5.000 -0.559234508 807.437 0.012883293 -0.652056E+00 -0.249233E+00 5.100 -0.557950278 525.581 0.011472121 -0.748948E+00 -0.251192E+00 5.200 -0.556816617 276.771 0.009926614 -0.891755E+00 -0.253587E+00 5.300 -0.555849198 64.447 0.008217742 -0.107159E+01 -0.256478E+00 5.400 -0.555067781 -107.054 0.006373115 -0.124158E+01 -0.259795E+00 5.500 -0.554480924 -235.854 0.004481749 -0.132237E+01 -0.263331E+00 5.600 -0.554086728 -322.370 0.002717971 -0.126609E+01 -0.266677E+00 5.700 -0.553863324 -371.402 0.001243170 -0.110852E+01 -0.269453E+00 5.800 -0.553775538 -390.669 0.000130053 -0.926414E+00 -0.271482E+00 5.900 -0.553786764 -388.205 -0.000630389 -0.773736E+00 -0.272768E+00 6.000 -0.553862823 -371.512 -0.001107995 -0.662738E+00 -0.273468E+00 6.200 -0.554114655 -316.241 -0.001490549 -0.537262E+00 -0.273714E+00 6.400 -0.554402277 -253.115 -0.001458435 -0.478433E+00 -0.273211E+00 6.600 -0.554667584 -194.887 -0.001258034 -0.444938E+00 -0.272507E+00 6.800 -0.554889395 -146.205 -0.001013672 -0.420988E+00 -0.271863E+00 7.000 -0.555064599 -107.752 -0.000783201 -0.401418E+00 -0.271378E+00 7.200 -0.555198183 -78.434 -0.000588359 -0.384780E+00 -0.271063E+00 7.400 -0.555297565 -56.622 -0.000433710 -0.370651E+00 -0.270895E+00 7.600 -0.555370278 -40.664 -0.000315363 -0.358812E+00 -0.270837E+00 7.800 -0.555422768 -29.144 -0.000226969 -0.349013E+00 -0.270854E+00 8.000 -0.555460283 -20.910 -0.000161776 -0.340969E+00 -0.270920E+00 8.250 -0.555492077 -13.932 -0.000104467 -0.332953E+00 -0.271039E+00 8.500 -0.555512285 -9.497 -0.000066100 -0.326734E+00 -0.271175E+00 8.750 -0.555524769 -6.757 -0.000040613 -0.321902E+00 -0.271313E+00 9.000 -0.555532153 -5.136 -0.000023830 -0.318139E+00 -0.271446E+00 9.250 -0.555536215 -4.245 -0.000012910 -0.315201E+00 -0.271568E+00 9.500 -0.555538150 -3.820 -0.000005947 -0.312901E+00 -0.271678E+00 9.750 -0.555538768 -3.684 -0.000001633 -0.311090E+00 -0.271778E+00 10.000 -0.555538599 -3.721 0.000000898 -0.309650E+00 -0.271867E+00 10.250 -0.555538000 -3.853 0.000002243 -0.308479E+00 -0.271948E+00 10.500 -0.555537203 -4.028 0.000002812 -0.307497E+00 -0.272021E+00 10.600 -0.555536864 -4.102 0.000002885 -0.307141E+00 -0.272048E+00 10.700 -0.555536523 -4.177 0.000002889 -0.306801E+00 -0.272074E+00 10.800 -0.555536189 -4.250 0.000002847 -0.306474E+00 -0.272100E+00 10.900 -0.555535864 -4.322 0.000002759 -0.306158E+00 -0.272125E+00 11.000 -0.555535553 -4.390 0.000002636 -0.305849E+00 -0.272149E+00 11.100 -0.555535258 -4.455 0.000002488 -0.305546E+00 -0.272172E+00 11.200 -0.555534981 -4.516 0.000002314 -0.305247E+00 -0.272195E+00 11.300 -0.555534725 -4.572 0.000002129 -0.304953E+00 -0.272217E+00 11.400 -0.555534490 -4.623 0.000001933 -0.304661E+00 -0.272239E+00 11.500 -0.555534278 -4.670 0.000001731 -0.304372E+00 -0.272261E+00 11.600 -0.555534086 -4.712 0.000001525 -0.304084E+00 -0.272281E+00 11.700 -0.555533919 -4.749 0.000001317 -0.303798E+00 -0.272302E+00 11.800 -0.555533774 -4.781 0.000001110 -0.303513E+00 -0.272322E+00 11.900 -0.555533652 -4.807 0.000000905 -0.303230E+00 -0.272342E+00 12.000 -0.555533549 -4.830 0.000000701 -0.302949E+00 -0.272361E+00 12.250 -0.555533382 -4.867 0.000000219 -0.302256E+00 -0.272408E+00 12.500 -0.555533328 -4.878 -0.000000223 -0.301578E+00 -0.272453E+00 12.750 -0.555533396 -4.863 -0.000000585 -0.300924E+00 -0.272496E+00 13.000 -0.555533557 -4.828 -0.000000894 -0.300296E+00 -0.272537E+00 13.250 -0.555533793 -4.776 -0.000001152 -0.299695E+00 -0.272577E+00 13.500 -0.555534089 -4.711 -0.000001370 -0.299119E+00 -0.272615E+00 13.750 -0.555534438 -4.635 -0.000001545 -0.298569E+00 -0.272651E+00 14.000 -0.555534829 -4.549 -0.000001685 -0.298042E+00 -0.272685E+00 14.250 -0.555535249 -4.457 -0.000001797 -0.297539E+00 -0.272718E+00 14.500 -0.555535698 -4.358 -0.000001877 -0.297058E+00 -0.272749E+00 14.750 -0.555536164 -4.256 -0.000001934 -0.296598E+00 -0.272779E+00 15.000 -0.555536643 -4.151 -0.000001971 -0.296157E+00 -0.272808E+00 15.250 -0.555537129 -4.044 -0.000001989 -0.295735E+00 -0.272835E+00 15.500 -0.555537619 -3.937 -0.000001994 -0.295330E+00 -0.272861E+00 15.750 -0.555538110 -3.829 -0.000001987 -0.294941E+00 -0.272885E+00 16.000 -0.555538598 -3.722 -0.000001970 -0.294568E+00 -0.272908E+00 16.250 -0.555539082 -3.615 -0.000001946 -0.294210E+00 -0.272931E+00 16.500 -0.555539560 -3.511 -0.000001915 -0.293866E+00 -0.272952E+00 16.750 -0.555540029 -3.408 -0.000001879 -0.293535E+00 -0.272972E+00 17.000 -0.555540490 -3.307 -0.000001841 -0.293216E+00 -0.272992E+00 17.250 -0.555540940 -3.208 -0.000001798 -0.292910E+00 -0.273010E+00 17.500 -0.555541381 -3.111 -0.000001753 -0.292614E+00 -0.273028E+00 18.000 -0.555542229 -2.925 -0.000001658 -0.292056E+00 -0.273061E+00 18.250 -0.555542635 -2.836 -0.000001611 -0.291792E+00 -0.273076E+00 18.500 -0.555543030 -2.749 -0.000001563 -0.291537E+00 -0.273091E+00 18.750 -0.555543413 -2.665 -0.000001514 -0.291292E+00 -0.273105E+00 19.000 -0.555543783 -2.584 -0.000001466 -0.291055E+00 -0.273118E+00 19.250 -0.555544142 -2.505 -0.000001420 -0.290826E+00 -0.273130E+00 19.500 -0.555544489 -2.429 -0.000001375 -0.290606E+00 -0.273142E+00 19.750 -0.555544825 -2.355 -0.000001330 -0.290393E+00 -0.273153E+00 20.000 -0.555545150 -2.284 -0.000001285 -0.290187E+00 -0.273164E+00 GK - EF NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 0.276254E+00 0.262717E+00 -0.748190E-01 -0.174360E+00 0.346470E-01 1.010 0.272382E+00 0.261940E+00 -0.765986E-01 -0.169712E+00 0.345808E-01 1.012 0.271603E+00 0.261785E+00 -0.768591E-01 -0.168900E+00 0.345678E-01 1.014 0.270843E+00 0.261637E+00 -0.770114E-01 -0.168194E+00 0.345547E-01 1.016 0.270067E+00 0.261509E+00 -0.764972E-01 -0.168217E+00 0.345416E-01 1.018 0.269318E+00 0.261359E+00 -0.766652E-01 -0.167492E+00 0.345286E-01 1.020 0.268559E+00 0.261203E+00 -0.771178E-01 -0.166486E+00 0.345155E-01 1.022 0.267813E+00 0.261046E+00 -0.779860E-01 -0.165055E+00 0.345024E-01 1.024 0.267064E+00 0.260878E+00 -0.796778E-01 -0.162785E+00 0.344894E-01 1.026 0.266325E+00 0.260711E+00 -0.826963E-01 -0.159187E+00 0.344762E-01 1.028 0.265585E+00 0.260528E+00 -0.888908E-01 -0.152389E+00 0.344630E-01 1.030 0.264857E+00 0.260329E+00 -0.104869E+00 -0.135768E+00 0.344493E-01 1.032 0.264141E+00 0.260055E+00 -0.174028E+00 -0.658135E-01 0.344340E-01 1.034 0.263450E+00 0.258940E+00 -0.214925E+01 0.191185E+01 0.343810E-01 1.036 -0.153832E-01 0.139573E-01 0.512123E+01 -0.516355E+01 -0.694678E-03 1.038 -0.113864E-01 0.179667E-01 0.832308E+00 -0.878312E+00 -0.167045E-03 1.040 -0.104114E-01 0.189800E-01 0.337022E+00 -0.383933E+00 -0.353203E-04 1.042 -0.997912E-02 0.194576E-01 0.186060E+00 -0.233386E+00 0.256367E-04 1.044 -0.974956E-02 0.197341E-01 0.121620E+00 -0.169174E+00 0.600055E-04 1.046 -0.960410E-02 0.199289E-01 0.870867E-01 -0.134796E+00 0.836355E-04 1.048 -0.951454E-02 0.200671E-01 0.671721E-01 -0.114983E+00 0.997989E-04 1.050 -0.945324E-02 0.201789E-01 0.541529E-01 -0.102042E+00 0.112549E-03 1.060 -0.935674E-02 0.205345E-01 0.277735E-01 -0.758746E-01 0.149754E-03 1.070 -0.940199E-02 0.207558E-01 0.199190E-01 -0.681168E-01 0.169524E-03 1.080 -0.949993E-02 0.209308E-01 0.163829E-01 -0.646435E-01 0.183290E-03 1.090 -0.962103E-02 0.210867E-01 0.143150E-01 -0.626272E-01 0.194708E-03 1.100 -0.976040E-02 0.212270E-01 0.129855E-01 -0.613404E-01 0.204548E-03 1.200 -0.114370E-01 0.222433E-01 0.810110E-02 -0.566103E-01 0.287172E-03 1.300 -0.135653E-01 0.228741E-01 0.443601E-02 -0.531923E-01 0.376172E-03 1.400 -0.161581E-01 0.230944E-01 0.190958E-03 -0.493718E-01 0.482364E-03 1.500 -0.195110E-01 0.228372E-01 -0.550208E-02 -0.444585E-01 0.611768E-03 1.600 -0.236860E-01 0.219468E-01 -0.126906E-01 -0.384289E-01 0.771953E-03 1.700 -0.290964E-01 0.202240E-01 -0.222590E-01 -0.306303E-01 0.972098E-03 1.800 -0.362665E-01 0.173796E-01 -0.353507E-01 -0.202265E-01 0.122509E-02 1.900 -0.459985E-01 0.129794E-01 -0.537736E-01 -0.588749E-02 0.154966E-02 2.000 -0.596110E-01 0.635331E-02 -0.805753E-01 0.146110E-01 0.197473E-02 2.100 -0.791975E-01 -0.358198E-02 -0.120852E+00 0.450662E-01 0.254210E-02 2.200 -0.108333E+00 -0.185661E-01 -0.183729E+00 0.922739E-01 0.332037E-02 2.300 -0.153407E+00 -0.416305E-01 -0.286370E+00 0.169164E+00 0.442206E-02 2.400 -0.226464E+00 -0.782578E-01 -0.462864E+00 0.301615E+00 0.603924E-02 2.500 -0.351477E+00 -0.138942E+00 -0.784168E+00 0.543844E+00 0.851132E-02 2.600 -0.578625E+00 -0.244760E+00 -0.140051E+01 0.101016E+01 0.124394E-01 2.700 -0.101362E+01 -0.438301E+00 -0.259827E+01 0.190931E+01 0.187859E-01 2.800 -0.184873E+01 -0.794981E+00 -0.469384E+01 0.341296E+01 0.284713E-01 2.900 -0.325963E+01 -0.140115E+01 -0.748503E+01 0.519171E+01 0.406485E-01 3.000 -0.484165E+01 -0.228099E+01 -0.985888E+01 0.653789E+01 0.521207E-01 3.100 -0.438857E+01 -0.323519E+01 -0.797868E+01 0.567733E+01 0.593062E-01 3.200 0.159646E+00 -0.359529E+01 0.162388E+01 0.782822E+00 0.581609E-01 3.300 0.381406E+01 -0.300345E+01 0.877175E+01 -0.313742E+01 0.488161E-01 3.400 0.376870E+01 -0.210956E+01 0.828238E+01 -0.327277E+01 0.373207E-01 3.500 0.262403E+01 -0.141170E+01 0.567175E+01 -0.224103E+01 0.277352E-01 3.600 0.170291E+01 -0.954004E+00 0.362336E+01 -0.139044E+01 0.206356E-01 3.700 0.112109E+01 -0.661478E+00 0.233321E+01 -0.854564E+00 0.154753E-01 3.800 0.767336E+00 -0.470652E+00 0.154740E+01 -0.532352E+00 0.116656E-01 3.900 0.548502E+00 -0.342144E+00 0.106025E+01 -0.336286E+00 0.877678E-02 4.000 0.408535E+00 -0.252822E+00 0.748439E+00 -0.213493E+00 0.651946E-02 4.100 0.315655E+00 -0.188985E+00 0.541915E+00 -0.134071E+00 0.470116E-02 4.200 0.251774E+00 -0.142289E+00 0.400626E+00 -0.810950E-01 0.319313E-02 4.300 0.206348E+00 -0.107484E+00 0.301111E+00 -0.447712E-01 0.190843E-02 4.400 0.173043E+00 -0.811582E-01 0.229208E+00 -0.192753E-01 0.787898E-03 4.500 0.147941E+00 -0.610248E-01 0.176107E+00 -0.104351E-02 -0.208787E-03 4.600 0.128546E+00 -0.455056E-01 0.136165E+00 0.121656E-01 -0.110887E-02 4.700 0.113225E+00 -0.334831E-01 0.105673E+00 0.217998E-01 -0.193056E-02 4.800 0.100882E+00 -0.241450E-01 0.821238E-01 0.288191E-01 -0.268616E-02 4.900 0.907665E-01 -0.168893E-01 0.637814E-01 0.338787E-01 -0.338357E-02 5.000 0.823501E-01 -0.112599E-01 0.494155E-01 0.374385E-01 -0.402810E-02 5.100 0.752559E-01 -0.690687E-02 0.381311E-01 0.398333E-01 -0.462316E-02 5.200 0.692089E-01 -0.355663E-02 0.292640E-01 0.413129E-01 -0.517141E-02 5.300 0.640051E-01 -0.993721E-03 0.223099E-01 0.420702E-01 -0.567500E-02 5.400 0.594901E-01 0.952866E-03 0.168789E-01 0.422582E-01 -0.613594E-02 5.500 0.555454E-01 0.241953E-02 0.126650E-01 0.420005E-01 -0.655629E-02 5.600 0.520784E-01 0.351539E-02 0.942472E-02 0.413982E-01 -0.693825E-02 5.700 0.490159E-01 0.432763E-02 0.696280E-02 0.405346E-01 -0.728414E-02 5.800 0.462991E-01 0.492597E-02 0.512202E-02 0.394784E-01 -0.759645E-02 5.900 0.438794E-01 0.536591E-02 0.377414E-02 0.382863E-01 -0.787772E-02 6.000 0.417180E-01 0.569147E-02 0.281699E-02 0.370038E-01 -0.813054E-02 6.200 0.380436E-01 0.613073E-02 0.175650E-02 0.343094E-01 -0.856103E-02 6.400 0.350709E-01 0.643984E-02 0.144963E-02 0.316088E-01 -0.890757E-02 6.600 0.326525E-01 0.673572E-02 0.158234E-02 0.290290E-01 -0.918800E-02 6.800 0.306805E-01 0.708511E-02 0.195854E-02 0.266381E-01 -0.941788E-02 7.000 0.290749E-01 0.752385E-02 0.246010E-02 0.244651E-01 -0.961043E-02 7.200 0.277760E-01 0.806966E-02 0.301997E-02 0.225145E-01 -0.977672E-02 7.400 0.267398E-01 0.873032E-02 0.360404E-02 0.207762E-01 -0.992591E-02 7.600 0.259338E-01 0.950914E-02 0.419943E-02 0.192320E-01 -0.100656E-01 7.800 0.253347E-01 0.104081E-01 0.480592E-02 0.178600E-01 -0.102025E-01 8.000 0.249270E-01 0.114305E-01 0.543415E-02 0.166352E-01 -0.103416E-01 8.250 0.246722E-01 0.128907E-01 0.627190E-02 0.152753E-01 -0.105259E-01 8.500 0.246945E-01 0.145712E-01 0.720351E-02 0.140625E-01 -0.107293E-01 8.750 0.249980E-01 0.165008E-01 0.827440E-02 0.129519E-01 -0.109585E-01 9.000 0.255970E-01 0.187208E-01 0.953729E-02 0.118996E-01 -0.112197E-01 9.250 0.265161E-01 0.212865E-01 0.110533E-01 0.108604E-01 -0.115183E-01 9.500 0.277892E-01 0.242699E-01 0.128930E-01 0.978677E-02 -0.118586E-01 9.750 0.294591E-01 0.277617E-01 0.151384E-01 0.862606E-02 -0.122444E-01 10.000 0.315762E-01 0.318747E-01 0.178833E-01 0.731798E-02 -0.126776E-01 10.250 0.341956E-01 0.367469E-01 0.212334E-01 0.579203E-02 -0.131585E-01 10.500 0.373731E-01 0.425437E-01 0.253045E-01 0.396507E-02 -0.136845E-01 10.600 0.388120E-01 0.451640E-01 0.271617E-01 0.312878E-02 -0.139063E-01 10.700 0.403518E-01 0.479775E-01 0.291622E-01 0.222179E-02 -0.141339E-01 10.800 0.419942E-01 0.509981E-01 0.313127E-01 0.123735E-02 -0.143665E-01 10.900 0.437415E-01 0.542415E-01 0.336210E-01 0.167841E-03 -0.146033E-01 11.000 0.455955E-01 0.577238E-01 0.360948E-01 -0.994506E-03 -0.148435E-01 11.100 0.475583E-01 0.614626E-01 0.387419E-01 -0.225796E-02 -0.150861E-01 11.200 0.496301E-01 0.654756E-01 0.415686E-01 -0.363053E-02 -0.153299E-01 11.300 0.518121E-01 0.697803E-01 0.445817E-01 -0.512009E-02 -0.155739E-01 11.400 0.541046E-01 0.743962E-01 0.477873E-01 -0.673468E-02 -0.158169E-01 11.500 0.565072E-01 0.793423E-01 0.511902E-01 -0.848159E-02 -0.160577E-01 11.600 0.590203E-01 0.846390E-01 0.547956E-01 -0.103682E-01 -0.162948E-01 11.700 0.616433E-01 0.903070E-01 0.586069E-01 -0.124006E-01 -0.165271E-01 11.800 0.643745E-01 0.963657E-01 0.626251E-01 -0.145837E-01 -0.167531E-01 11.900 0.672141E-01 0.102838E+00 0.668523E-01 -0.169219E-01 -0.169721E-01 12.000 0.701594E-01 0.109745E+00 0.712866E-01 -0.194179E-01 -0.171823E-01 12.250 0.779574E-01 0.129038E+00 0.832284E-01 -0.263384E-01 -0.176636E-01 12.500 0.862812E-01 0.151476E+00 0.961985E-01 -0.341535E-01 -0.180696E-01 12.750 0.948636E-01 0.177229E+00 0.109661E+00 -0.425979E-01 -0.183855E-01 13.000 0.103134E+00 0.206301E+00 0.122492E+00 -0.510968E-01 -0.185963E-01 13.250 0.110204E+00 0.238500E+00 0.132968E+00 -0.587637E-01 -0.186835E-01 13.500 0.114651E+00 0.272932E+00 0.138401E+00 -0.641848E-01 -0.186240E-01 13.750 0.114524E+00 0.307726E+00 0.135209E+00 -0.654446E-01 -0.183922E-01 14.000 0.107828E+00 0.340231E+00 0.119817E+00 -0.605934E-01 -0.179597E-01 14.250 0.932883E-01 0.367121E+00 0.901562E-01 -0.483936E-01 -0.173034E-01 14.500 0.712000E-01 0.384552E+00 0.472970E-01 -0.291386E-01 -0.164175E-01 14.750 0.441563E-01 0.389838E+00 -0.333624E-02 -0.536683E-02 -0.153185E-01 15.000 0.163620E-01 0.381923E+00 -0.533973E-01 0.188362E-01 -0.140513E-01 15.250 -0.776480E-02 0.362170E+00 -0.944919E-01 0.392293E-01 -0.126860E-01 15.500 -0.255618E-01 0.333303E+00 -0.121875E+00 0.533066E-01 -0.112895E-01 15.750 -0.362552E-01 0.299503E+00 -0.134762E+00 0.604750E-01 -0.993819E-02 16.000 -0.409578E-01 0.263908E+00 -0.135877E+00 0.619303E-01 -0.867252E-02 16.250 -0.412969E-01 0.229443E+00 -0.128909E+00 0.593730E-01 -0.752804E-02 16.500 -0.389483E-01 0.197607E+00 -0.117402E+00 0.545011E-01 -0.651961E-02 16.750 -0.352668E-01 0.169209E+00 -0.104119E+00 0.486482E-01 -0.564298E-02 17.000 -0.310679E-01 0.144222E+00 -0.906155E-01 0.425802E-01 -0.488178E-02 17.250 -0.268840E-01 0.122731E+00 -0.779204E-01 0.368067E-01 -0.422926E-02 17.500 -0.229743E-01 0.104313E+00 -0.664402E-01 0.315445E-01 -0.367021E-02 18.000 -0.164097E-01 0.752296E-01 -0.476170E-01 0.228485E-01 -0.278136E-02 18.250 -0.137754E-01 0.640026E-01 -0.401781E-01 0.193888E-01 -0.243431E-02 18.500 -0.115251E-01 0.545795E-01 -0.338691E-01 0.164435E-01 -0.214075E-02 18.750 -0.960343E-02 0.466149E-01 -0.285077E-01 0.139321E-01 -0.189058E-02 19.000 -0.797048E-02 0.398866E-01 -0.239649E-01 0.117956E-01 -0.167620E-02 19.250 -0.659593E-02 0.341915E-01 -0.201389E-01 0.999066E-02 -0.149202E-02 19.500 -0.544272E-02 0.293725E-01 -0.169225E-01 0.846724E-02 -0.133311E-02 19.750 -0.447986E-02 0.253035E-01 -0.142284E-01 0.718616E-02 -0.119603E-02 20.000 -0.368249E-02 0.218846E-01 -0.119870E-01 0.611601E-02 -0.107819E-02 H - EF NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 -0.738683E-02 0.206686E-01 0.264777E-01 -0.752017E-01 0.227407E-03 1.010 -0.730826E-02 0.209984E-01 0.394282E-01 -0.883173E-01 0.259363E-03 1.012 -0.741860E-02 0.210064E-01 0.406088E-01 -0.895421E-01 0.259612E-03 1.014 -0.758951E-02 0.209860E-01 0.406828E-01 -0.896648E-01 0.256784E-03 1.016 -0.798418E-02 0.207956E-01 0.320872E-01 -0.810077E-01 0.232608E-03 1.018 -0.808617E-02 0.207920E-01 0.325889E-01 -0.815238E-01 0.231166E-03 1.020 -0.811064E-02 0.208336E-01 0.363773E-01 -0.853382E-01 0.234978E-03 1.022 -0.806434E-02 0.209258E-01 0.454154E-01 -0.944304E-01 0.244877E-03 1.024 -0.793455E-02 0.210878E-01 0.643400E-01 -0.113462E+00 0.263696E-03 1.026 -0.774151E-02 0.213105E-01 0.988950E-01 -0.148178E+00 0.290393E-03 1.028 -0.744706E-02 0.216424E-01 0.170242E+00 -0.219795E+00 0.331647E-03 1.030 -0.691765E-02 0.222066E-01 0.351419E+00 -0.401456E+00 0.403787E-03 1.032 -0.558344E-02 0.235664E-01 0.109205E+01 -0.114331E+01 0.581346E-03 1.034 0.340920E-02 0.324729E-01 0.165365E+02 -0.165959E+02 0.176001E-02 1.036 0.262273E+00 0.260440E+00 -0.349579E+00 0.109072E+00 0.344063E-01 1.038 0.261757E+00 0.260041E+00 -0.132807E+00 -0.106479E+00 0.344001E-01 1.040 0.261062E+00 0.259813E+00 -0.100075E+00 -0.138505E+00 0.343878E-01 1.042 0.260353E+00 0.259625E+00 -0.895329E-01 -0.148434E+00 0.343751E-01 1.044 0.259637E+00 0.259449E+00 -0.849688E-01 -0.152422E+00 0.343623E-01 1.046 0.258923E+00 0.259280E+00 -0.825379E-01 -0.154295E+00 0.343496E-01 1.048 0.258200E+00 0.259112E+00 -0.811800E-01 -0.155109E+00 0.343370E-01 1.050 0.257497E+00 0.258950E+00 -0.803041E-01 -0.155437E+00 0.343243E-01 1.060 0.253959E+00 0.258141E+00 -0.788887E-01 -0.154211E+00 0.342614E-01 1.070 0.250474E+00 0.257341E+00 -0.788722E-01 -0.151665E+00 0.341992E-01 1.080 0.247035E+00 0.256542E+00 -0.791970E-01 -0.148845E+00 0.341376E-01 1.090 0.243650E+00 0.255738E+00 -0.796196E-01 -0.145973E+00 0.340767E-01 1.100 0.240334E+00 0.254932E+00 -0.800649E-01 -0.143114E+00 0.340164E-01 1.200 0.210041E+00 0.246623E+00 -0.842579E-01 -0.116739E+00 0.334491E-01 1.300 0.183877E+00 0.237921E+00 -0.878665E-01 -0.942888E-01 0.329448E-01 1.400 0.160780E+00 0.228905E+00 -0.914569E-01 -0.747094E-01 0.325006E-01 1.500 0.140298E+00 0.219554E+00 -0.947064E-01 -0.577345E-01 0.321186E-01 1.600 0.121526E+00 0.209851E+00 -0.986526E-01 -0.421347E-01 0.317981E-01 1.700 0.104032E+00 0.199717E+00 -0.103429E+00 -0.275003E-01 0.315433E-01 1.800 0.872832E-01 0.189047E+00 -0.109546E+00 -0.132229E-01 0.313582E-01 1.900 0.707093E-01 0.177675E+00 -0.117709E+00 0.139225E-02 0.312503E-01 2.000 0.537237E-01 0.165366E+00 -0.128788E+00 0.171459E-01 0.312307E-01 2.100 0.354455E-01 0.151742E+00 -0.144361E+00 0.352906E-01 0.313163E-01 2.200 0.146643E-01 0.136240E+00 -0.166916E+00 0.577259E-01 0.315335E-01 2.300 -0.105721E-01 0.117963E+00 -0.200870E+00 0.877211E-01 0.319226E-01 2.400 -0.436126E-01 0.954055E-01 -0.254398E+00 0.131281E+00 0.325491E-01 2.500 -0.905817E-01 0.659045E-01 -0.343423E+00 0.200117E+00 0.335223E-01 2.600 -0.163368E+00 0.244897E-01 -0.500151E+00 0.317945E+00 0.350307E-01 2.700 -0.285741E+00 -0.384306E-01 -0.787215E+00 0.529941E+00 0.373935E-01 2.800 -0.501174E+00 -0.140014E+00 -0.128049E+01 0.879329E+00 0.410397E-01 2.900 -0.845783E+00 -0.295818E+00 -0.177964E+01 0.113787E+01 0.459065E-01 3.000 -0.118219E+01 -0.468568E+00 -0.151081E+01 0.641004E+00 0.503465E-01 3.100 -0.114877E+01 -0.578165E+00 -0.650828E+00 -0.124928E+00 0.535959E-01 3.200 -0.612624E+00 -0.598352E+00 0.226603E+00 -0.465257E+00 0.561511E-01 3.300 -0.334964E-01 -0.543799E+00 0.783945E+00 -0.487866E+00 0.571663E-01 3.400 0.220475E+00 -0.457297E+00 0.887025E+00 -0.397552E+00 0.566044E-01 3.500 0.256524E+00 -0.373671E+00 0.768974E+00 -0.298924E+00 0.552991E-01 3.600 0.221352E+00 -0.304700E+00 0.611777E+00 -0.221148E+00 0.538288E-01 3.700 0.175342E+00 -0.250581E+00 0.476035E+00 -0.165244E+00 0.524267E-01 3.800 0.135323E+00 -0.208481E+00 0.371143E+00 -0.126093E+00 0.511606E-01 3.900 0.103957E+00 -0.175492E+00 0.292687E+00 -0.987343E-01 0.500358E-01 4.000 0.801826E-01 -0.149294E+00 0.234311E+00 -0.794819E-01 0.490377E-01 4.100 0.623314E-01 -0.128158E+00 0.190628E+00 -0.657807E-01 0.481459E-01 4.200 0.489330E-01 -0.110829E+00 0.157593E+00 -0.558840E-01 0.473391E-01 4.300 0.388496E-01 -0.963966E-01 0.132278E+00 -0.485923E-01 0.465972E-01 4.400 0.312345E-01 -0.841994E-01 0.112577E+00 -0.430704E-01 0.459017E-01 4.500 0.254611E-01 -0.737569E-01 0.969700E-01 -0.387280E-01 0.452358E-01 4.600 0.210686E-01 -0.647173E-01 0.843574E-01 -0.351509E-01 0.445845E-01 4.700 0.177117E-01 -0.568214E-01 0.739408E-01 -0.320498E-01 0.439342E-01 4.800 0.151320E-01 -0.498829E-01 0.651470E-01 -0.292304E-01 0.432739E-01 4.900 0.131313E-01 -0.437603E-01 0.575647E-01 -0.265720E-01 0.425939E-01 5.000 0.115585E-01 -0.383487E-01 0.509096E-01 -0.240116E-01 0.418870E-01 5.100 0.103000E-01 -0.335625E-01 0.449934E-01 -0.215317E-01 0.411464E-01 5.200 0.926769E-02 -0.293360E-01 0.396980E-01 -0.191472E-01 0.403684E-01 5.300 0.839595E-02 -0.256110E-01 0.349579E-01 -0.168974E-01 0.395500E-01 5.400 0.763667E-02 -0.223335E-01 0.307448E-01 -0.148364E-01 0.386897E-01 5.500 0.695580E-02 -0.194513E-01 0.270554E-01 -0.130264E-01 0.377873E-01 5.600 0.633081E-02 -0.169114E-01 0.239009E-01 -0.115303E-01 0.368437E-01 5.700 0.574840E-02 -0.146596E-01 0.212982E-01 -0.104061E-01 0.358608E-01 5.800 0.520253E-02 -0.126398E-01 0.192634E-01 -0.970235E-02 0.348417E-01 5.900 0.469353E-02 -0.107947E-01 0.178064E-01 -0.945368E-02 0.337901E-01 6.000 0.422471E-02 -0.906648E-02 0.169241E-01 -0.967719E-02 0.327111E-01 6.200 0.343683E-02 -0.573611E-02 0.168061E-01 -0.115189E-01 0.304934E-01 6.400 0.290531E-02 -0.223054E-02 0.186127E-01 -0.150103E-01 0.282387E-01 6.600 0.269198E-02 0.179043E-02 0.218790E-01 -0.197295E-01 0.259980E-01 6.800 0.283747E-02 0.656742E-02 0.260944E-01 -0.251886E-01 0.238155E-01 7.000 0.335766E-02 0.122446E-01 0.308214E-01 -0.309622E-01 0.217232E-01 7.200 0.424933E-02 0.188915E-01 0.357588E-01 -0.367571E-01 0.197392E-01 7.400 0.549879E-02 0.265321E-01 0.407473E-01 -0.424193E-01 0.178698E-01 7.600 0.709018E-02 0.351704E-01 0.457396E-01 -0.479048E-01 0.161125E-01 7.800 0.900986E-02 0.448082E-01 0.507599E-01 -0.532394E-01 0.144596E-01 8.000 0.112488E-01 0.554576E-01 0.558724E-01 -0.584879E-01 0.128994E-01 8.250 0.144893E-01 0.702322E-01 0.625085E-01 -0.650452E-01 0.110617E-01 8.500 0.182149E-01 0.867114E-01 0.695452E-01 -0.717330E-01 0.932654E-02 8.750 0.224111E-01 0.105008E+00 0.770720E-01 -0.786628E-01 0.767162E-02 9.000 0.270356E-01 0.125246E+00 0.850899E-01 -0.858868E-01 0.607678E-02 9.250 0.319923E-01 0.147535E+00 0.934665E-01 -0.933738E-01 0.452445E-02 9.500 0.370939E-01 0.171929E+00 0.101870E+00 -0.100972E+00 0.300023E-02 9.750 0.420186E-01 0.198363E+00 0.109695E+00 -0.108366E+00 0.149341E-02 10.000 0.462644E-01 0.226581E+00 0.115980E+00 -0.115032E+00 -0.228895E-05 10.250 0.491197E-01 0.256037E+00 0.119365E+00 -0.120204E+00 -0.148735E-02 10.500 0.496844E-01 0.285798E+00 0.118146E+00 -0.122900E+00 -0.295518E-02 10.600 0.490481E-01 0.297493E+00 0.115957E+00 -0.123039E+00 -0.353439E-02 10.700 0.478289E-01 0.308915E+00 0.112629E+00 -0.122541E+00 -0.410740E-02 10.800 0.459739E-01 0.319942E+00 0.108068E+00 -0.121343E+00 -0.467226E-02 10.900 0.434423E-01 0.330446E+00 0.102206E+00 -0.119396E+00 -0.522733E-02 11.000 0.402085E-01 0.340297E+00 0.950011E-01 -0.116665E+00 -0.577059E-02 11.100 0.362646E-01 0.349361E+00 0.864501E-01 -0.113133E+00 -0.630001E-02 11.200 0.316235E-01 0.357505E+00 0.765938E-01 -0.108811E+00 -0.681350E-02 11.300 0.263285E-01 0.364601E+00 0.655257E-01 -0.103728E+00 -0.730861E-02 11.400 0.204419E-01 0.370534E+00 0.533808E-01 -0.979448E-01 -0.778312E-02 11.500 0.140522E-01 0.375204E+00 0.403434E-01 -0.915440E-01 -0.823470E-02 11.600 0.727065E-02 0.378534E+00 0.266402E-01 -0.846341E-01 -0.866150E-02 11.700 0.223050E-03 0.380470E+00 0.125266E-01 -0.773411E-01 -0.906141E-02 11.800 -0.694995E-02 0.380979E+00 -0.171729E-02 -0.698054E-01 -0.943260E-02 11.900 -0.141069E-01 0.380073E+00 -0.158119E-01 -0.621729E-01 -0.977419E-02 12.000 -0.211049E-01 0.377771E+00 -0.294765E-01 -0.545902E-01 -0.100850E-01 12.250 -0.370895E-01 0.366350E+00 -0.601873E-01 -0.367143E-01 -0.107259E-01 12.500 -0.497814E-01 0.348053E+00 -0.838253E-01 -0.216446E-01 -0.111732E-01 12.750 -0.584783E-01 0.324877E+00 -0.991940E-01 -0.102453E-01 -0.114439E-01 13.000 -0.633446E-01 0.298704E+00 -0.106782E+00 -0.251703E-02 -0.115527E-01 13.250 -0.650479E-01 0.271302E+00 -0.108040E+00 0.204133E-02 -0.115541E-01 13.500 -0.644601E-01 0.244204E+00 -0.104852E+00 0.421307E-02 -0.114758E-01 13.750 -0.623329E-01 0.218314E+00 -0.988376E-01 0.474998E-02 -0.113145E-01 14.000 -0.592507E-01 0.194102E+00 -0.912631E-01 0.428362E-02 -0.110850E-01 14.250 -0.555870E-01 0.171843E+00 -0.829747E-01 0.326930E-02 -0.108038E-01 14.500 -0.515146E-01 0.151653E+00 -0.744870E-01 0.205477E-02 -0.104781E-01 14.750 -0.471509E-01 0.133567E+00 -0.660865E-01 0.824719E-03 -0.101243E-01 15.000 -0.425964E-01 0.117563E+00 -0.579654E-01 -0.306155E-03 -0.975673E-02 15.250 -0.380166E-01 0.103628E+00 -0.503222E-01 -0.128499E-02 -0.937504E-02 15.500 -0.335353E-01 0.915588E-01 -0.432255E-01 -0.212382E-02 -0.900868E-02 15.750 -0.293843E-01 0.813025E-01 -0.368984E-01 -0.281000E-02 -0.863545E-02 16.000 -0.256413E-01 0.726040E-01 -0.313421E-01 -0.337470E-02 -0.829326E-02 16.250 -0.223949E-01 0.652957E-01 -0.265752E-01 -0.385608E-02 -0.795994E-02 16.500 -0.195853E-01 0.591476E-01 -0.225437E-01 -0.421109E-02 -0.766943E-02 16.750 -0.172310E-01 0.539505E-01 -0.191779E-01 -0.449495E-02 -0.736573E-02 17.000 -0.152816E-01 0.495791E-01 -0.163298E-01 -0.478471E-02 -0.709039E-02 17.250 -0.136811E-01 0.458717E-01 -0.139464E-01 -0.505321E-02 -0.680636E-02 17.500 -0.123640E-01 0.427179E-01 -0.119359E-01 -0.531012E-02 -0.653822E-02 18.000 -0.103651E-01 0.378716E-01 -0.872223E-02 -0.585087E-02 -0.616918E-02 18.250 -0.961047E-02 0.360211E-01 -0.744034E-02 -0.611766E-02 -0.603917E-02 18.500 -0.896223E-02 0.344305E-01 -0.634846E-02 -0.633598E-02 -0.593132E-02 18.750 -0.841639E-02 0.331266E-01 -0.539095E-02 -0.655894E-02 -0.586104E-02 19.000 -0.799896E-02 0.321458E-01 -0.451235E-02 -0.687034E-02 -0.581450E-02 19.250 -0.766653E-02 0.314502E-01 -0.373472E-02 -0.719937E-02 -0.581494E-02 19.500 -0.744848E-02 0.310837E-01 -0.297367E-02 -0.766290E-02 -0.585049E-02 19.750 -0.734460E-02 0.310506E-01 -0.223626E-02 -0.825271E-02 -0.591843E-02 20.000 -0.730892E-02 0.312653E-01 -0.152102E-02 -0.891443E-02 -0.602515E-02 H - GK NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 -0.306023E+01 -0.126585E+00 -0.594771E+01 0.314064E+01 -0.203886E-04 1.010 -0.828258E+01 -0.228039E+00 -0.162030E+02 0.837202E+01 -0.204125E-04 1.012 -0.937079E+01 -0.238528E+00 -0.183592E+02 0.945982E+01 -0.207848E-04 1.014 -0.102840E+02 -0.240981E+00 -0.201803E+02 0.103716E+02 -0.213241E-04 1.016 -0.797061E+01 -0.177584E+00 -0.156706E+02 0.804956E+01 -0.226361E-04 1.018 -0.920679E+01 -0.182580E+00 -0.181330E+02 0.928487E+01 -0.230241E-04 1.020 -0.124699E+02 -0.212369E+00 -0.246023E+02 0.125489E+02 -0.231654E-04 1.022 -0.199122E+02 -0.282217E+00 -0.393541E+02 0.199942E+02 -0.230393E-04 1.024 -0.371784E+02 -0.427915E+00 -0.736089E+02 0.372662E+02 -0.226018E-04 1.026 -0.760748E+02 -0.693805E+00 -0.150893E+03 0.761710E+02 -0.218807E-04 1.028 -0.180100E+03 -0.124291E+01 -0.357891E+03 0.180209E+03 -0.207240E-04 1.030 -0.551185E+03 -0.263720E+01 -0.109738E+04 0.551317E+03 -0.185957E-04 1.032 -0.305182E+04 -0.833922E+01 -0.608766E+04 0.305201E+04 -0.131270E-04 1.034 -0.178352E+06 -0.127685E+03 -0.356457E+06 0.178352E+06 0.241433E-04 1.036 -0.297888E+05 0.392471E+02 -0.596531E+05 0.297886E+05 -0.538790E-04 1.038 -0.189281E+04 0.633011E+01 -0.379776E+04 0.189275E+04 -0.373761E-04 1.040 -0.466280E+03 0.252558E+01 -0.937407E+03 0.466270E+03 -0.333931E-04 1.042 -0.180986E+03 0.136589E+01 -0.364603E+03 0.180995E+03 -0.316566E-04 1.044 -0.894064E+02 0.870986E+00 -0.180501E+03 0.894263E+02 -0.307586E-04 1.046 -0.503355E+02 0.605949E+00 -0.101857E+03 0.503627E+02 -0.302141E-04 1.048 -0.313916E+02 0.453254E+00 -0.636805E+02 0.314238E+02 -0.299082E-04 1.050 -0.208371E+02 0.353574E+00 -0.423836E+02 0.208731E+02 -0.297144E-04 1.060 -0.473003E+01 0.152907E+00 -0.979518E+01 0.477665E+01 -0.296248E-04 1.070 -0.173403E+01 0.947875E-01 -0.369679E+01 0.178558E+01 -0.300936E-04 1.080 -0.785421E+00 0.700169E-01 -0.175501E+01 0.839924E+00 -0.307497E-04 1.090 -0.382584E+00 0.566381E-01 -0.925743E+00 0.439235E+00 -0.314837E-04 1.100 -0.189438E+00 0.490042E-01 -0.526213E+00 0.247676E+00 -0.323226E-04 1.200 0.770358E-01 0.382237E-01 0.240122E-01 -0.106825E-01 -0.440302E-04 1.300 0.993104E-01 0.429274E-01 0.608402E-01 -0.275720E-01 -0.593684E-04 1.400 0.111371E+00 0.503618E-01 0.740302E-01 -0.345639E-01 -0.793740E-04 1.500 0.129787E+00 0.591924E-01 0.987081E-01 -0.478446E-01 -0.104422E-03 1.600 0.148837E+00 0.702285E-01 0.122376E+00 -0.613255E-01 -0.137111E-03 1.700 0.172439E+00 0.839232E-01 0.152663E+00 -0.789568E-01 -0.179944E-03 1.800 0.202618E+00 0.101109E+00 0.193046E+00 -0.102771E+00 -0.236935E-03 1.900 0.242442E+00 0.123052E+00 0.248946E+00 -0.136032E+00 -0.314432E-03 2.000 0.296421E+00 0.151759E+00 0.328391E+00 -0.183729E+00 -0.423030E-03 2.100 0.370782E+00 0.189886E+00 0.443472E+00 -0.253534E+00 -0.578756E-03 2.200 0.476707E+00 0.242240E+00 0.616352E+00 -0.359863E+00 -0.811949E-03 2.300 0.630981E+00 0.316220E+00 0.883772E+00 -0.527765E+00 -0.117676E-02 2.400 0.858898E+00 0.424197E+00 0.130986E+01 -0.804457E+00 -0.177802E-02 2.500 0.118897E+01 0.586919E+00 0.199979E+01 -0.128035E+01 -0.283000E-02 2.600 0.160394E+01 0.837357E+00 0.308175E+01 -0.212193E+01 -0.479027E-02 2.700 0.181343E+01 0.121447E+01 0.446521E+01 -0.355139E+01 -0.861966E-02 2.800 0.793945E+00 0.170158E+01 0.490668E+01 -0.532815E+01 -0.158904E-01 2.900 -0.202625E+01 0.206709E+01 0.162159E+01 -0.507342E+01 -0.268212E-01 3.000 -0.391475E+01 0.193826E+01 -0.395923E+01 -0.124770E+01 -0.354992E-01 3.100 -0.365658E+01 0.141960E+01 -0.564847E+01 0.107602E+01 -0.353065E-01 3.200 -0.270675E+01 0.902695E+00 -0.448436E+01 0.121343E+01 -0.282648E-01 3.300 -0.171706E+01 0.534479E+00 -0.291617E+01 0.875178E+00 -0.196434E-01 3.400 -0.990094E+00 0.304444E+00 -0.177468E+01 0.605502E+00 -0.127571E-01 3.500 -0.569573E+00 0.163620E+00 -0.110675E+01 0.443685E+00 -0.803845E-02 3.600 -0.343980E+00 0.733151E-01 -0.735299E+00 0.350588E+00 -0.485748E-02 3.700 -0.221356E+00 0.113265E-01 -0.523560E+00 0.296082E+00 -0.262935E-02 3.800 -0.151575E+00 -0.341713E-01 -0.396617E+00 0.263026E+00 -0.982460E-03 3.900 -0.109468E+00 -0.695112E-01 -0.315802E+00 0.241981E+00 0.299839E-03 4.000 -0.822372E-01 -0.981797E-01 -0.260718E+00 0.227570E+00 0.134219E-02 4.100 -0.631321E-01 -0.122135E+00 -0.220131E+00 0.216577E+00 0.221574E-02 4.200 -0.484524E-01 -0.142477E+00 -0.187601E+00 0.206995E+00 0.295985E-02 4.300 -0.361259E-01 -0.159804E+00 -0.159347E+00 0.197549E+00 0.359440E-02 4.400 -0.250026E-01 -0.174425E+00 -0.133172E+00 0.187453E+00 0.412692E-02 4.500 -0.144871E-01 -0.186480E+00 -0.107890E+00 0.176283E+00 0.455753E-02 4.600 -0.433611E-02 -0.196030E+00 -0.830021E-01 0.163896E+00 0.488192E-02 4.700 0.547442E-02 -0.203108E+00 -0.584698E-01 0.150373E+00 0.509409E-02 4.800 0.148280E-01 -0.207763E+00 -0.345803E-01 0.135976E+00 0.518783E-02 4.900 0.235465E-01 -0.210080E+00 -0.117792E-01 0.121073E+00 0.515843E-02 5.000 0.314344E-01 -0.210192E+00 0.941780E-02 0.106093E+00 0.500344E-02 5.100 0.383298E-01 -0.208284E+00 0.285493E-01 0.914605E-01 0.472354E-02 5.200 0.441109E-01 -0.204583E+00 0.452262E-01 0.775703E-01 0.432240E-02 5.300 0.487214E-01 -0.199347E+00 0.592014E-01 0.647452E-01 0.380691E-02 5.400 0.521674E-01 -0.192853E+00 0.703711E-01 0.532235E-01 0.318673E-02 5.500 0.545112E-01 -0.185381E+00 0.787691E-01 0.431535E-01 0.247400E-02 5.600 0.558580E-01 -0.177202E+00 0.845419E-01 0.346024E-01 0.168263E-02 5.700 0.563420E-01 -0.168566E+00 0.879218E-01 0.275661E-01 0.827815E-03 5.800 0.561119E-01 -0.159699E+00 0.891966E-01 0.219841E-01 -0.745760E-04 5.900 0.553186E-01 -0.150797E+00 0.886823E-01 0.177538E-01 -0.100872E-02 6.000 0.541062E-01 -0.142021E+00 0.867046E-01 0.147418E-01 -0.195911E-02 6.200 0.509244E-01 -0.125340E+00 0.795980E-01 0.117587E-01 -0.385268E-02 6.400 0.473782E-01 -0.110351E+00 0.701058E-01 0.117570E-01 -0.565941E-02 6.600 0.439720E-01 -0.973495E-01 0.599398E-01 0.135320E-01 -0.731377E-02 6.800 0.409527E-01 -0.863484E-01 0.502379E-01 0.161114E-01 -0.878127E-02 7.000 0.383900E-01 -0.771854E-01 0.416175E-01 0.188254E-01 -0.100527E-01 7.200 0.362535E-01 -0.696168E-01 0.342996E-01 0.212919E-01 -0.111355E-01 7.400 0.344692E-01 -0.633823E-01 0.282534E-01 0.233462E-01 -0.120463E-01 7.600 0.329536E-01 -0.582421E-01 0.233200E-01 0.249604E-01 -0.128043E-01 7.800 0.316300E-01 -0.539934E-01 0.192991E-01 0.261755E-01 -0.134286E-01 8.000 0.304354E-01 -0.504743E-01 0.159943E-01 0.270596E-01 -0.139369E-01 8.250 0.290484E-01 -0.469123E-01 0.126175E-01 0.278036E-01 -0.144308E-01 8.500 0.277127E-01 -0.441146E-01 0.984017E-02 0.282525E-01 -0.147889E-01 8.750 0.263761E-01 -0.419563E-01 0.747442E-02 0.284917E-01 -0.150289E-01 9.000 0.249997E-01 -0.403520E-01 0.538910E-02 0.285777E-01 -0.151640E-01 9.250 0.235536E-01 -0.392432E-01 0.349629E-02 0.285424E-01 -0.152031E-01 9.500 0.220141E-01 -0.385894E-01 0.174134E-02 0.283968E-01 -0.151519E-01 9.750 0.203614E-01 -0.383600E-01 0.962160E-04 0.281339E-01 -0.150132E-01 10.000 0.185800E-01 -0.385286E-01 -0.144445E-02 0.277302E-01 -0.147874E-01 10.250 0.166596E-01 -0.390677E-01 -0.286644E-02 0.271490E-01 -0.144732E-01 10.500 0.145963E-01 -0.399443E-01 -0.413975E-02 0.263445E-01 -0.140684E-01 10.600 0.137319E-01 -0.403803E-01 -0.459870E-02 0.259495E-01 -0.138806E-01 10.700 0.128458E-01 -0.408607E-01 -0.502519E-02 0.255085E-01 -0.136780E-01 10.800 0.119396E-01 -0.413819E-01 -0.541630E-02 0.250192E-01 -0.134605E-01 10.900 0.110148E-01 -0.419403E-01 -0.576986E-02 0.244801E-01 -0.132282E-01 11.000 0.100729E-01 -0.425319E-01 -0.608428E-02 0.238902E-01 -0.129814E-01 11.100 0.911580E-02 -0.431531E-01 -0.635852E-02 0.232497E-01 -0.127202E-01 11.200 0.814687E-02 -0.438000E-01 -0.659140E-02 0.225597E-01 -0.124454E-01 11.300 0.716751E-02 -0.444679E-01 -0.678444E-02 0.218224E-01 -0.121570E-01 11.400 0.618122E-02 -0.451530E-01 -0.693841E-02 0.210412E-01 -0.118558E-01 11.500 0.519131E-02 -0.458514E-01 -0.705535E-02 0.202208E-01 -0.115426E-01 11.600 0.420111E-02 -0.465597E-01 -0.713840E-02 0.193670E-01 -0.112184E-01 11.700 0.321412E-02 -0.472748E-01 -0.719129E-02 0.184866E-01 -0.108842E-01 11.800 0.223448E-02 -0.479931E-01 -0.721835E-02 0.175872E-01 -0.105412E-01 11.900 0.126480E-02 -0.487136E-01 -0.722421E-02 0.166762E-01 -0.101899E-01 12.000 0.310048E-03 -0.494338E-01 -0.721367E-02 0.157627E-01 -0.983252E-02 12.250 -0.198994E-02 -0.512246E-01 -0.714794E-02 0.135212E-01 -0.891812E-02 12.500 -0.412046E-02 -0.529979E-01 -0.707113E-02 0.114303E-01 -0.798646E-02 12.750 -0.602481E-02 -0.547517E-01 -0.702024E-02 0.958393E-02 -0.705346E-02 13.000 -0.762111E-02 -0.564780E-01 -0.696591E-02 0.803372E-02 -0.613010E-02 13.250 -0.882521E-02 -0.581957E-01 -0.685236E-02 0.681141E-02 -0.522591E-02 13.500 -0.954080E-02 -0.598958E-01 -0.657849E-02 0.591114E-02 -0.434708E-02 13.750 -0.964866E-02 -0.614915E-01 -0.600613E-02 0.530170E-02 -0.349144E-02 14.000 -0.902859E-02 -0.628855E-01 -0.500496E-02 0.496001E-02 -0.266429E-02 14.250 -0.762498E-02 -0.639716E-01 -0.350506E-02 0.485854E-02 -0.186813E-02 14.500 -0.546221E-02 -0.645950E-01 -0.151078E-02 0.495823E-02 -0.111950E-02 14.750 -0.271993E-02 -0.646675E-01 0.824629E-03 0.522391E-02 -0.425830E-03 15.000 0.322371E-03 -0.641333E-01 0.325983E-02 0.561365E-02 0.201268E-03 15.250 0.331795E-02 -0.630149E-01 0.550770E-02 0.607450E-02 0.751231E-03 15.500 0.603109E-02 -0.613838E-01 0.734819E-02 0.660339E-02 0.121393E-02 15.750 0.823799E-02 -0.593847E-01 0.866518E-02 0.711372E-02 0.160205E-02 16.000 0.992920E-02 -0.571547E-01 0.945560E-02 0.761794E-02 0.191958E-02 16.250 0.111096E-01 -0.548201E-01 0.977376E-02 0.808294E-02 0.218211E-02 16.500 0.118714E-01 -0.524557E-01 0.972868E-02 0.850095E-02 0.236933E-02 16.750 0.123078E-01 -0.501261E-01 0.944323E-02 0.884978E-02 0.249098E-02 17.000 0.125210E-01 -0.479432E-01 0.896391E-02 0.919746E-02 0.259049E-02 17.250 0.125720E-01 -0.458851E-01 0.838433E-02 0.950771E-02 0.264153E-02 17.500 0.125087E-01 -0.439809E-01 0.775123E-02 0.978388E-02 0.267756E-02 18.000 0.122798E-01 -0.408425E-01 0.634496E-02 0.104729E-01 0.271779E-02 18.250 0.121364E-01 -0.395677E-01 0.563566E-02 0.108370E-01 0.272848E-02 18.500 0.119610E-01 -0.384185E-01 0.497132E-02 0.111430E-01 0.273839E-02 18.750 0.117949E-01 -0.374740E-01 0.432714E-02 0.114650E-01 0.275941E-02 19.000 0.116900E-01 -0.368097E-01 0.366784E-02 0.118968E-01 0.278481E-02 19.250 0.116491E-01 -0.364086E-01 0.304429E-02 0.123876E-01 0.281375E-02 19.500 0.117015E-01 -0.363425E-01 0.236918E-02 0.130598E-01 0.285726E-02 19.750 0.118662E-01 -0.366353E-01 0.166634E-02 0.139097E-01 0.290997E-02 20.000 0.121098E-01 -0.371889E-01 0.948136E-03 0.148805E-01 0.296976E-02 S5 - EF NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 0.127945E+00 0.126984E+00 -0.335975E-01 -0.924265E-01 0.203875E-01 1.010 0.126114E+00 0.126633E+00 -0.323706E-01 -0.922746E-01 0.203491E-01 1.012 0.125743E+00 0.126561E+00 -0.318527E-01 -0.925248E-01 0.203416E-01 1.014 0.125385E+00 0.126491E+00 -0.308406E-01 -0.932636E-01 0.203339E-01 1.016 0.124998E+00 0.126427E+00 -0.289955E-01 -0.948786E-01 0.203262E-01 1.018 0.124630E+00 0.126374E+00 -0.220395E-01 -0.101610E+00 0.203185E-01 1.020 0.124200E+00 0.126358E+00 0.997000E-02 -0.133530E+00 0.203096E-01 1.022 0.115920E+00 0.122460E+00 -0.665735E+02 0.664495E+02 0.193397E-01 1.024 -0.387427E-02 0.106220E-01 -0.123014E+01 0.120552E+01 0.524777E-03 1.026 -0.515287E-02 0.934785E-02 -0.304168E+00 0.280793E+00 0.320647E-03 1.028 -0.565850E-02 0.890234E-02 -0.129666E+00 0.106688E+00 0.249561E-03 1.030 -0.590676E-02 0.868114E-02 -0.702118E-01 0.474485E-01 0.214724E-03 1.032 -0.607541E-02 0.855077E-02 -0.432846E-01 0.206379E-01 0.194586E-03 1.034 -0.621580E-02 0.845342E-02 -0.280163E-01 0.544962E-02 0.179277E-03 1.036 -0.631633E-02 0.838811E-02 -0.193251E-01 -0.318446E-02 0.169367E-03 1.038 -0.640235E-02 0.833894E-02 -0.139298E-01 -0.853990E-02 0.161860E-03 1.040 -0.647055E-02 0.830829E-02 -0.106371E-01 -0.118109E-01 0.157570E-03 1.042 -0.652500E-02 0.828317E-02 -0.830731E-02 -0.141163E-01 0.154066E-03 1.044 -0.658483E-02 0.826165E-02 -0.661303E-02 -0.157987E-01 0.151076E-03 1.046 -0.662714E-02 0.824850E-02 -0.551102E-02 -0.168876E-01 0.149541E-03 1.048 -0.667926E-02 0.824420E-02 -0.499071E-02 -0.174218E-01 0.149477E-03 1.050 -0.671894E-02 0.823784E-02 -0.443124E-02 -0.179788E-01 0.149144E-03 1.060 -0.688653E-02 0.823656E-02 -0.340999E-02 -0.190172E-01 0.152496E-03 1.070 -0.700766E-02 0.824396E-02 -0.308276E-02 -0.193342E-01 0.157973E-03 1.080 -0.711267E-02 0.823315E-02 -0.255627E-02 -0.198030E-01 0.160136E-03 1.090 -0.719128E-02 0.820659E-02 -0.185442E-02 -0.203948E-01 0.159856E-03 1.100 -0.729005E-02 0.816243E-02 -0.106973E-02 -0.210611E-01 0.156832E-03 1.200 -0.827983E-02 0.807631E-02 -0.186721E-02 -0.198731E-01 0.203321E-03 1.300 -0.947067E-02 0.779053E-02 -0.439921E-02 -0.170569E-01 0.267588E-03 1.400 -0.119539E-01 0.740861E-02 -0.144402E-01 -0.598307E-02 0.346952E-03 1.500 -0.129822E-01 0.631586E-02 -0.109102E-01 -0.104931E-01 0.425091E-03 1.600 -0.152948E-01 0.499630E-02 -0.153150E-01 -0.622515E-02 0.531596E-03 1.700 -0.182792E-01 0.317413E-02 -0.213192E-01 -0.694344E-03 0.672929E-03 1.800 -0.221593E-01 0.667178E-03 -0.293938E-01 0.649314E-02 0.860057E-03 1.900 -0.274647E-01 -0.277964E-02 -0.408959E-01 0.163572E-01 0.110694E-02 2.000 -0.348533E-01 -0.767043E-02 -0.576104E-01 0.304275E-01 0.144066E-02 2.100 -0.456950E-01 -0.146523E-01 -0.834446E-01 0.517041E-01 0.191032E-02 2.200 -0.622779E-01 -0.249696E-01 -0.125202E+00 0.856234E-01 0.258480E-02 2.300 -0.887395E-01 -0.408606E-01 -0.196650E+00 0.143441E+00 0.358202E-02 2.400 -0.133621E+00 -0.666632E-01 -0.328058E+00 0.249990E+00 0.512205E-02 2.500 -0.215361E+00 -0.111387E+00 -0.587311E+00 0.461061E+00 0.762570E-02 2.600 -0.374244E+00 -0.193800E+00 -0.110335E+01 0.878180E+00 0.117999E-01 2.700 -0.678330E+00 -0.342503E+00 -0.185621E+01 0.143159E+01 0.180498E-01 2.800 -0.111141E+01 -0.539827E+00 -0.182652E+01 0.110069E+01 0.231072E-01 2.900 -0.139365E+01 -0.660295E+00 -0.455428E+00 -0.482841E+00 0.204876E-01 3.000 -0.129182E+01 -0.640080E+00 0.698313E+00 -0.156341E+01 0.117296E-01 3.100 -0.869992E+00 -0.552501E+00 0.965880E+00 -0.147942E+01 0.440563E-02 3.200 -0.308793E+00 -0.452972E+00 0.101843E+01 -0.104412E+01 0.909801E-03 3.300 0.819514E-01 -0.352663E+00 0.959971E+00 -0.664284E+00 -0.434028E-03 3.400 0.204812E+00 -0.265740E+00 0.767065E+00 -0.405936E+00 -0.112068E-02 3.500 0.200232E+00 -0.199630E+00 0.560876E+00 -0.246570E+00 -0.166081E-02 3.600 0.165325E+00 -0.152029E+00 0.399812E+00 -0.150026E+00 -0.214226E-02 3.700 0.131111E+00 -0.118123E+00 0.285282E+00 -0.903215E-01 -0.257460E-02 3.800 0.103707E+00 -0.938458E-01 0.205167E+00 -0.520680E-01 -0.296590E-02 3.900 0.827527E-01 -0.763301E-01 0.148495E+00 -0.265983E-01 -0.332828E-02 4.000 0.667508E-01 -0.636419E-01 0.107577E+00 -0.900495E-02 -0.367445E-02 4.100 0.543447E-01 -0.544771E-01 0.773661E-01 0.355284E-02 -0.401556E-02 4.200 0.445217E-01 -0.479405E-01 0.545859E-01 0.127646E-01 -0.436093E-02 4.300 0.365674E-01 -0.434030E-01 0.370960E-01 0.196590E-01 -0.471780E-02 4.400 0.299848E-01 -0.404115E-01 0.234746E-01 0.248790E-01 -0.509152E-02 4.500 0.244290E-01 -0.386298E-01 0.127670E-01 0.288308E-01 -0.548582E-02 4.600 0.196581E-01 -0.378014E-01 0.431061E-02 0.317829E-01 -0.590327E-02 4.700 0.155023E-01 -0.377258E-01 -0.235495E-02 0.339108E-01 -0.634518E-02 4.800 0.118362E-01 -0.382429E-01 -0.758266E-02 0.353534E-01 -0.681254E-02 4.900 0.857199E-02 -0.392214E-01 -0.116235E-01 0.362043E-01 -0.730529E-02 5.000 0.564256E-02 -0.405530E-01 -0.146815E-01 0.365453E-01 -0.782313E-02 5.100 0.300028E-02 -0.421472E-01 -0.169097E-01 0.364383E-01 -0.836491E-02 5.200 0.605709E-03 -0.439285E-01 -0.184445E-01 0.359458E-01 -0.892908E-02 5.300 -0.157098E-02 -0.458332E-01 -0.193955E-01 0.351201E-01 -0.951344E-02 5.400 -0.355325E-02 -0.478073E-01 -0.198563E-01 0.340094E-01 -0.101154E-01 5.500 -0.535994E-02 -0.498060E-01 -0.199030E-01 0.326543E-01 -0.107312E-01 5.600 -0.700608E-02 -0.517910E-01 -0.196016E-01 0.310923E-01 -0.113568E-01 5.700 -0.850375E-02 -0.537303E-01 -0.190072E-01 0.293562E-01 -0.119874E-01 5.800 -0.986244E-02 -0.555969E-01 -0.181664E-01 0.274753E-01 -0.126176E-01 5.900 -0.110905E-01 -0.573680E-01 -0.171217E-01 0.254779E-01 -0.132415E-01 6.000 -0.121940E-01 -0.590255E-01 -0.159083E-01 0.233895E-01 -0.138528E-01 6.200 -0.140482E-01 -0.619419E-01 -0.131126E-01 0.190457E-01 -0.150137E-01 6.400 -0.154630E-01 -0.642649E-01 -0.100344E-01 0.146542E-01 -0.160550E-01 6.600 -0.164754E-01 -0.659617E-01 -0.690472E-02 0.104178E-01 -0.169419E-01 6.800 -0.171273E-01 -0.670428E-01 -0.391644E-02 0.650758E-02 -0.176551E-01 7.000 -0.174665E-01 -0.675514E-01 -0.120775E-02 0.304161E-02 -0.181916E-01 7.200 -0.175440E-01 -0.675525E-01 0.114350E-02 0.770901E-04 -0.185623E-01 7.400 -0.174105E-01 -0.671210E-01 0.311223E-02 -0.238191E-02 -0.187872E-01 7.600 -0.171135E-01 -0.663330E-01 0.470958E-02 -0.436705E-02 -0.188914E-01 7.800 -0.166954E-01 -0.652595E-01 0.596670E-02 -0.592891E-02 -0.189012E-01 8.000 -0.161918E-01 -0.639651E-01 0.692423E-02 -0.712477E-02 -0.188415E-01 8.250 -0.154878E-01 -0.621205E-01 0.776134E-02 -0.818960E-02 -0.187034E-01 8.500 -0.147442E-01 -0.601089E-01 0.826757E-02 -0.886850E-02 -0.185298E-01 8.750 -0.139970E-01 -0.580048E-01 0.850722E-02 -0.924598E-02 -0.183509E-01 9.000 -0.132732E-01 -0.558681E-01 0.853379E-02 -0.939183E-02 -0.181908E-01 9.250 -0.125929E-01 -0.537466E-01 0.839083E-02 -0.936283E-02 -0.180679E-01 9.500 -0.119711E-01 -0.516782E-01 0.811316E-02 -0.920467E-02 -0.179959E-01 9.750 -0.114193E-01 -0.496932E-01 0.772841E-02 -0.895423E-02 -0.179849E-01 10.000 -0.109458E-01 -0.478155E-01 0.725869E-02 -0.864133E-02 -0.180414E-01 10.250 -0.105565E-01 -0.460641E-01 0.672241E-02 -0.829080E-02 -0.181689E-01 10.500 -0.102554E-01 -0.444534E-01 0.613616E-02 -0.792426E-02 -0.183676E-01 10.600 -0.101600E-01 -0.438511E-01 0.589133E-02 -0.777758E-02 -0.184664E-01 10.700 -0.100787E-01 -0.432734E-01 0.564266E-02 -0.763290E-02 -0.185759E-01 10.800 -0.100118E-01 -0.427208E-01 0.539072E-02 -0.749126E-02 -0.186955E-01 10.900 -0.995867E-02 -0.421934E-01 0.513716E-02 -0.735392E-02 -0.188248E-01 11.000 -0.991931E-02 -0.416916E-01 0.488313E-02 -0.722215E-02 -0.189631E-01 11.100 -0.989314E-02 -0.412151E-01 0.463026E-02 -0.709726E-02 -0.191098E-01 11.200 -0.987874E-02 -0.407634E-01 0.438067E-02 -0.698023E-02 -0.192643E-01 11.300 -0.987683E-02 -0.403368E-01 0.413567E-02 -0.687324E-02 -0.194259E-01 11.400 -0.988594E-02 -0.399343E-01 0.389726E-02 -0.677718E-02 -0.195938E-01 11.500 -0.990513E-02 -0.395554E-01 0.366746E-02 -0.669338E-02 -0.197673E-01 11.600 -0.993325E-02 -0.391990E-01 0.344820E-02 -0.662300E-02 -0.199458E-01 11.700 -0.996924E-02 -0.388639E-01 0.324186E-02 -0.656769E-02 -0.201285E-01 11.800 -0.100116E-01 -0.385493E-01 0.305113E-02 -0.652897E-02 -0.203148E-01 11.900 -0.100592E-01 -0.382523E-01 0.287695E-02 -0.650719E-02 -0.205045E-01 12.000 -0.101106E-01 -0.379718E-01 0.272209E-02 -0.650408E-02 -0.206971E-01 12.250 -0.102464E-01 -0.373293E-01 0.243273E-02 -0.658451E-02 -0.211899E-01 12.500 -0.103763E-01 -0.367369E-01 0.230562E-02 -0.680404E-02 -0.217003E-01 12.750 -0.104843E-01 -0.361545E-01 0.236558E-02 -0.717856E-02 -0.222300E-01 13.000 -0.105632E-01 -0.355294E-01 0.262663E-02 -0.772382E-02 -0.227865E-01 13.250 -0.106108E-01 -0.348019E-01 0.309235E-02 -0.845007E-02 -0.233761E-01 13.500 -0.106337E-01 -0.339246E-01 0.375245E-02 -0.936027E-02 -0.240005E-01 13.750 -0.106611E-01 -0.328615E-01 0.456503E-02 -0.104463E-01 -0.246577E-01 14.000 -0.107444E-01 -0.315762E-01 0.546146E-02 -0.116950E-01 -0.253393E-01 14.250 -0.109545E-01 -0.300547E-01 0.634441E-02 -0.130807E-01 -0.260293E-01 14.500 -0.113726E-01 -0.283187E-01 0.708729E-02 -0.145539E-01 -0.267004E-01 14.750 -0.120664E-01 -0.264142E-01 0.757810E-02 -0.160629E-01 -0.273266E-01 15.000 -0.130625E-01 -0.244169E-01 0.773816E-02 -0.175451E-01 -0.278827E-01 15.250 -0.143228E-01 -0.224224E-01 0.755857E-02 -0.189407E-01 -0.283504E-01 15.500 -0.157791E-01 -0.205011E-01 0.708181E-02 -0.202156E-01 -0.287266E-01 15.750 -0.173065E-01 -0.187383E-01 0.641078E-02 -0.213378E-01 -0.290125E-01 16.000 -0.188211E-01 -0.171584E-01 0.563228E-02 -0.223086E-01 -0.292212E-01 16.250 -0.202375E-01 -0.157904E-01 0.483616E-02 -0.231302E-01 -0.293653E-01 16.500 -0.215153E-01 -0.146388E-01 0.407449E-02 -0.238154E-01 -0.294578E-01 16.750 -0.226361E-01 -0.136882E-01 0.338309E-02 -0.243848E-01 -0.295114E-01 17.000 -0.236099E-01 -0.129007E-01 0.276762E-02 -0.248598E-01 -0.295370E-01 17.250 -0.244390E-01 -0.122640E-01 0.223510E-02 -0.252522E-01 -0.295423E-01 17.500 -0.251416E-01 -0.117519E-01 0.177903E-02 -0.255775E-01 -0.295321E-01 18.000 -0.262354E-01 -0.110204E-01 0.106796E-02 -0.260789E-01 -0.294824E-01 18.250 -0.266492E-01 -0.107791E-01 0.802821E-03 -0.262708E-01 -0.294478E-01 18.500 -0.269899E-01 -0.106044E-01 0.586705E-03 -0.264301E-01 -0.294088E-01 18.750 -0.272719E-01 -0.104821E-01 0.409530E-03 -0.265633E-01 -0.293671E-01 19.000 -0.275048E-01 -0.104013E-01 0.265191E-03 -0.266752E-01 -0.293240E-01 19.250 -0.276953E-01 -0.103509E-01 0.149855E-03 -0.267697E-01 -0.292786E-01 19.500 -0.278496E-01 -0.103255E-01 0.603543E-04 -0.268510E-01 -0.292317E-01 19.750 -0.279745E-01 -0.103224E-01 -0.105987E-04 -0.269186E-01 -0.291848E-01 20.000 -0.280728E-01 -0.103368E-01 -0.648228E-04 -0.269743E-01 -0.291373E-01 S5 - GK NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 -0.271320E+00 -0.266706E+00 0.727572E-01 0.189334E+00 -0.176335E-01 1.010 -0.267342E+00 -0.265944E+00 0.721305E-01 0.187150E+00 -0.176096E-01 1.012 -0.266539E+00 -0.265787E+00 0.717775E-01 0.186954E+00 -0.176049E-01 1.014 -0.265761E+00 -0.265636E+00 0.709976E-01 0.187179E+00 -0.176002E-01 1.016 -0.264905E+00 -0.265494E+00 0.696853E-01 0.188035E+00 -0.175955E-01 1.018 -0.264135E+00 -0.265358E+00 0.645612E-01 0.192635E+00 -0.175905E-01 1.020 -0.263330E+00 -0.265240E+00 0.503454E-01 0.206401E+00 -0.175842E-01 1.022 -0.250029E+00 -0.254394E+00 0.158139E+03 -0.157891E+03 -0.167277E-01 1.024 -0.953675E-02 -0.132419E-01 0.257712E+01 -0.256079E+01 -0.384322E-03 1.026 -0.127875E-01 -0.105968E-01 0.624699E+00 -0.616830E+00 -0.197041E-03 1.028 -0.240313E-01 -0.970762E-02 0.245699E+00 -0.250843E+00 -0.119258E-03 1.030 -0.547527E-01 -0.933363E-02 0.895372E-01 -0.126166E+00 -0.606082E-04 1.032 -0.181984E+00 -0.928674E-02 -0.946044E-01 -0.693819E-01 0.271147E-04 1.034 -0.283035E+01 -0.106072E-01 -0.277522E+01 -0.346175E-01 0.507773E-03 1.036 -0.638859E-01 0.451069E-01 -0.707689E-01 -0.801969E-01 -0.136409E-01 1.038 0.541019E-01 0.450786E-01 0.478706E-01 -0.806253E-01 -0.136462E-01 1.040 0.687123E-01 0.451789E-01 0.623120E-01 -0.804822E-01 -0.136472E-01 1.042 0.731131E-01 0.452986E-01 0.664702E-01 -0.803026E-01 -0.136477E-01 1.044 0.750123E-01 0.453908E-01 0.682848E-01 -0.802280E-01 -0.136478E-01 1.046 0.759247E-01 0.455216E-01 0.689661E-01 -0.800807E-01 -0.136482E-01 1.048 0.764018E-01 0.456622E-01 0.691888E-01 -0.799286E-01 -0.136486E-01 1.050 0.766956E-01 0.457860E-01 0.693011E-01 -0.798169E-01 -0.136489E-01 1.060 0.774890E-01 0.464191E-01 0.696682E-01 -0.797624E-01 -0.136504E-01 1.070 0.778884E-01 0.470914E-01 0.697331E-01 -0.798660E-01 -0.136522E-01 1.080 0.779901E-01 0.477771E-01 0.693481E-01 -0.798341E-01 -0.136536E-01 1.090 0.782202E-01 0.483879E-01 0.694425E-01 -0.800074E-01 -0.136538E-01 1.100 0.782475E-01 0.489483E-01 0.692822E-01 -0.800317E-01 -0.136535E-01 1.200 0.781183E-01 0.550006E-01 0.670014E-01 -0.805507E-01 -0.136562E-01 1.300 0.816996E-01 0.619347E-01 0.715180E-01 -0.851025E-01 -0.136562E-01 1.400 0.855785E-01 0.696313E-01 0.748800E-01 -0.874367E-01 -0.136442E-01 1.500 0.960756E-01 0.780652E-01 0.946036E-01 -0.102615E+00 -0.136298E-01 1.600 0.106669E+00 0.883305E-01 0.111813E+00 -0.115557E+00 -0.136002E-01 1.700 0.120745E+00 0.100751E+00 0.134987E+00 -0.132774E+00 -0.135642E-01 1.800 0.140743E+00 0.116175E+00 0.169675E+00 -0.158016E+00 -0.135225E-01 1.900 0.168022E+00 0.135336E+00 0.218539E+00 -0.192976E+00 -0.134707E-01 2.000 0.209096E+00 0.161299E+00 0.294401E+00 -0.246604E+00 -0.134131E-01 2.100 0.269898E+00 0.195861E+00 0.411584E+00 -0.328220E+00 -0.133461E-01 2.200 0.367561E+00 0.246308E+00 0.607780E+00 -0.464135E+00 -0.132944E-01 2.300 0.531455E+00 0.323627E+00 0.957352E+00 -0.707312E+00 -0.132897E-01 2.400 0.823940E+00 0.450563E+00 0.162914E+01 -0.118067E+01 -0.134602E-01 2.500 0.137822E+01 0.676547E+00 0.301699E+01 -0.218000E+01 -0.141794E-01 2.600 0.243243E+01 0.110918E+01 0.590371E+01 -0.432450E+01 -0.164891E-01 2.700 0.394393E+01 0.191632E+01 0.101096E+02 -0.758517E+01 -0.227951E-01 2.800 0.340423E+01 0.291451E+01 0.754552E+01 -0.622308E+01 -0.343246E-01 2.900 -0.137694E+01 0.301057E+01 -0.606494E+01 0.261173E+01 -0.426224E-01 3.000 -0.365411E+01 0.203721E+01 -0.109720E+02 0.595977E+01 -0.397083E-01 3.100 -0.291453E+01 0.110991E+01 -0.721260E+01 0.358200E+01 -0.327699E-01 3.200 -0.188907E+01 0.570654E+00 -0.385147E+01 0.160574E+01 -0.282883E-01 3.300 -0.108166E+01 0.290961E+00 -0.193937E+01 0.681368E+00 -0.263782E-01 3.400 -0.575468E+00 0.152252E+00 -0.949882E+00 0.284854E+00 -0.258272E-01 3.500 -0.308250E+00 0.844293E-01 -0.464085E+00 0.107590E+00 -0.258832E-01 3.600 -0.171985E+00 0.514978E-01 -0.221478E+00 0.208827E-01 -0.262110E-01 3.700 -0.998148E-01 0.363949E-01 -0.935815E-01 -0.259063E-01 -0.266703E-01 3.800 -0.594501E-01 0.309376E-01 -0.222286E-01 -0.535045E-01 -0.272013E-01 3.900 -0.358618E-01 0.309715E-01 0.192322E-01 -0.709769E-01 -0.277769E-01 4.000 -0.218274E-01 0.342238E-01 0.436339E-01 -0.825732E-01 -0.283827E-01 4.100 -0.136932E-01 0.393499E-01 0.575190E-01 -0.904073E-01 -0.290094E-01 4.200 -0.949561E-02 0.454925E-01 0.644319E-01 -0.955906E-01 -0.296494E-01 4.300 -0.810134E-02 0.520652E-01 0.664296E-01 -0.987474E-01 -0.302949E-01 4.400 -0.879613E-02 0.586459E-01 0.648055E-01 -0.100259E+00 -0.309380E-01 4.500 -0.110781E-01 0.649200E-01 0.604650E-01 -0.100396E+00 -0.315703E-01 4.600 -0.145529E-01 0.706536E-01 0.541139E-01 -0.993858E-01 -0.321832E-01 4.700 -0.188817E-01 0.756755E-01 0.463618E-01 -0.974459E-01 -0.327681E-01 4.800 -0.237654E-01 0.798743E-01 0.377285E-01 -0.947749E-01 -0.333173E-01 4.900 -0.289309E-01 0.831863E-01 0.286981E-01 -0.915826E-01 -0.338237E-01 5.000 -0.341384E-01 0.855952E-01 0.196838E-01 -0.880603E-01 -0.342812E-01 5.100 -0.391792E-01 0.871190E-01 0.110508E-01 -0.843943E-01 -0.346849E-01 5.200 -0.438893E-01 0.878113E-01 0.306754E-02 -0.807304E-01 -0.350312E-01 5.300 -0.481442E-01 0.877478E-01 -0.406807E-02 -0.771885E-01 -0.353175E-01 5.400 -0.518600E-01 0.870203E-01 -0.102366E-01 -0.738532E-01 -0.355422E-01 5.500 -0.549894E-01 0.857287E-01 -0.153840E-01 -0.707795E-01 -0.357047E-01 5.600 -0.575167E-01 0.839750E-01 -0.195157E-01 -0.679921E-01 -0.358046E-01 5.700 -0.594512E-01 0.818587E-01 -0.226795E-01 -0.654940E-01 -0.358426E-01 5.800 -0.608213E-01 0.794726E-01 -0.249546E-01 -0.632710E-01 -0.358195E-01 5.900 -0.616681E-01 0.769002E-01 -0.264364E-01 -0.612996E-01 -0.357369E-01 6.000 -0.620421E-01 0.742155E-01 -0.272313E-01 -0.595494E-01 -0.355967E-01 6.200 -0.615901E-01 0.687519E-01 -0.271706E-01 -0.565975E-01 -0.351551E-01 6.400 -0.599055E-01 0.634699E-01 -0.255249E-01 -0.542150E-01 -0.345239E-01 6.600 -0.573991E-01 0.586226E-01 -0.228929E-01 -0.522706E-01 -0.337423E-01 6.800 -0.544214E-01 0.543597E-01 -0.197223E-01 -0.506872E-01 -0.328560E-01 7.000 -0.512514E-01 0.507540E-01 -0.163425E-01 -0.494101E-01 -0.319121E-01 7.200 -0.480958E-01 0.478223E-01 -0.129946E-01 -0.483852E-01 -0.309532E-01 7.400 -0.450953E-01 0.455402E-01 -0.985317E-02 -0.475503E-01 -0.300144E-01 7.600 -0.423359E-01 0.438539E-01 -0.703605E-02 -0.468403E-01 -0.291212E-01 7.800 -0.398614E-01 0.426913E-01 -0.461255E-02 -0.461953E-01 -0.282902E-01 8.000 -0.376863E-01 0.419699E-01 -0.261171E-02 -0.455671E-01 -0.275309E-01 8.250 -0.353784E-01 0.415598E-01 -0.699144E-03 -0.447543E-01 -0.266872E-01 8.500 -0.334921E-01 0.415487E-01 0.609045E-03 -0.438773E-01 -0.259587E-01 8.750 -0.319778E-01 0.417953E-01 0.139517E-02 -0.429261E-01 -0.253378E-01 9.000 -0.307819E-01 0.421809E-01 0.175585E-02 -0.419113E-01 -0.248142E-01 9.250 -0.298526E-01 0.426126E-01 0.179079E-02 -0.408569E-01 -0.243759E-01 9.500 -0.291415E-01 0.430214E-01 0.159566E-02 -0.397943E-01 -0.240109E-01 9.750 -0.286054E-01 0.433622E-01 0.125735E-02 -0.387575E-01 -0.237071E-01 10.000 -0.282054E-01 0.436093E-01 0.852463E-03 -0.377798E-01 -0.234526E-01 10.250 -0.279071E-01 0.437546E-01 0.445448E-03 -0.368901E-01 -0.232358E-01 10.500 -0.276793E-01 0.438043E-01 0.877890E-04 -0.361108E-01 -0.230455E-01 10.600 -0.276016E-01 0.438008E-01 -0.320691E-04 -0.358338E-01 -0.229743E-01 10.700 -0.275289E-01 0.437862E-01 -0.135769E-03 -0.355774E-01 -0.229048E-01 10.800 -0.274595E-01 0.437623E-01 -0.222013E-03 -0.353417E-01 -0.228364E-01 10.900 -0.273921E-01 0.437304E-01 -0.287767E-03 -0.351283E-01 -0.227684E-01 11.000 -0.273249E-01 0.436931E-01 -0.334800E-03 -0.349343E-01 -0.227000E-01 11.100 -0.272565E-01 0.436519E-01 -0.361764E-03 -0.347599E-01 -0.226305E-01 11.200 -0.271856E-01 0.436085E-01 -0.364369E-03 -0.346085E-01 -0.225595E-01 11.300 -0.271105E-01 0.435666E-01 -0.348569E-03 -0.344728E-01 -0.224859E-01 11.400 -0.270299E-01 0.435275E-01 -0.311746E-03 -0.343546E-01 -0.224093E-01 11.500 -0.269427E-01 0.434933E-01 -0.253980E-03 -0.342527E-01 -0.223289E-01 11.600 -0.268479E-01 0.434639E-01 -0.175659E-03 -0.341661E-01 -0.222443E-01 11.700 -0.267435E-01 0.434457E-01 -0.770338E-04 -0.340931E-01 -0.221543E-01 11.800 -0.266288E-01 0.434380E-01 0.418021E-04 -0.340329E-01 -0.220586E-01 11.900 -0.265023E-01 0.434444E-01 0.178426E-03 -0.339823E-01 -0.219561E-01 12.000 -0.263632E-01 0.434654E-01 0.334134E-03 -0.339415E-01 -0.218465E-01 12.250 -0.259547E-01 0.435900E-01 0.804043E-03 -0.338755E-01 -0.215368E-01 12.500 -0.254484E-01 0.438368E-01 0.138050E-02 -0.338428E-01 -0.211660E-01 12.750 -0.248309E-01 0.442404E-01 0.203359E-02 -0.338042E-01 -0.207205E-01 13.000 -0.240962E-01 0.448240E-01 0.273188E-02 -0.337241E-01 -0.201850E-01 13.250 -0.232457E-01 0.455965E-01 0.345940E-02 -0.335875E-01 -0.195441E-01 13.500 -0.222989E-01 0.465510E-01 0.419812E-02 -0.333934E-01 -0.187867E-01 13.750 -0.212901E-01 0.476881E-01 0.488642E-02 -0.331130E-01 -0.179027E-01 14.000 -0.202676E-01 0.489900E-01 0.545997E-02 -0.327261E-01 -0.168866E-01 14.250 -0.192894E-01 0.504139E-01 0.585857E-02 -0.322236E-01 -0.157432E-01 14.500 -0.184111E-01 0.519181E-01 0.602224E-02 -0.315945E-01 -0.144937E-01 14.750 -0.176649E-01 0.534350E-01 0.594809E-02 -0.308584E-01 -0.131715E-01 15.000 -0.170520E-01 0.549065E-01 0.565869E-02 -0.300316E-01 -0.118224E-01 15.250 -0.165461E-01 0.562835E-01 0.522486E-02 -0.291524E-01 -0.105003E-01 15.500 -0.161094E-01 0.575388E-01 0.472056E-02 -0.282543E-01 -0.924429E-02 15.750 -0.157103E-01 0.586621E-01 0.422025E-02 -0.273797E-01 -0.809571E-02 16.000 -0.153292E-01 0.596650E-01 0.376089E-02 -0.265483E-01 -0.706580E-02 16.250 -0.149621E-01 0.605548E-01 0.336637E-02 -0.257814E-01 -0.616617E-02 16.500 -0.146140E-01 0.613473E-01 0.304193E-02 -0.250919E-01 -0.539604E-02 16.750 -0.142892E-01 0.620637E-01 0.278104E-02 -0.244808E-01 -0.474304E-02 17.000 -0.139877E-01 0.627241E-01 0.256897E-02 -0.239360E-01 -0.418697E-02 17.250 -0.137140E-01 0.633315E-01 0.239695E-02 -0.234538E-01 -0.371945E-02 17.500 -0.134675E-01 0.639033E-01 0.225499E-02 -0.230257E-01 -0.332546E-02 18.000 -0.130487E-01 0.649518E-01 0.204187E-02 -0.223075E-01 -0.271347E-02 18.250 -0.128757E-01 0.654369E-01 0.196398E-02 -0.220108E-01 -0.248096E-02 18.500 -0.127244E-01 0.659039E-01 0.189597E-02 -0.217451E-01 -0.228794E-02 18.750 -0.125914E-01 0.663528E-01 0.183553E-02 -0.215045E-01 -0.212671E-02 19.000 -0.124735E-01 0.667831E-01 0.178092E-02 -0.212842E-01 -0.199165E-02 19.250 -0.123675E-01 0.672078E-01 0.173684E-02 -0.210870E-01 -0.187783E-02 19.500 -0.122718E-01 0.676269E-01 0.170183E-02 -0.209097E-01 -0.178174E-02 19.750 -0.121853E-01 0.680311E-01 0.166827E-02 -0.207428E-01 -0.170110E-02 20.000 -0.121065E-01 0.684280E-01 0.163824E-02 -0.205875E-01 -0.163368E-02 S5 - H NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 -0.115440E-01 0.183721E-03 -0.204422E-02 -0.986723E-02 -0.974954E-04 1.010 -0.249663E-01 0.805743E-04 -0.508595E-02 -0.200399E-01 -0.132040E-03 1.012 -0.261737E-01 0.123710E-03 -0.247471E-02 -0.239435E-01 -0.134995E-03 1.014 -0.262383E-01 0.201480E-03 0.412072E-02 -0.307564E-01 -0.138452E-03 1.016 -0.172641E-01 0.463463E-03 0.249213E-01 -0.430979E-01 -0.133661E-03 1.018 -0.175070E-01 0.632715E-03 0.711023E-01 -0.898523E-01 -0.168590E-03 1.020 -0.206119E-01 0.103019E-02 0.327477E+00 -0.350110E+00 -0.291905E-03 1.022 -0.413816E-02 0.139475E-01 0.893832E+02 -0.894140E+02 -0.428304E-02 1.024 0.801422E-01 0.443575E-01 0.864159E-01 -0.929096E-01 -0.136481E-01 1.026 0.784249E-01 0.443769E-01 0.772064E-01 -0.852862E-01 -0.136492E-01 1.028 0.751436E-01 0.444375E-01 0.723545E-01 -0.836652E-01 -0.136490E-01 1.030 0.682411E-01 0.445151E-01 0.646898E-01 -0.828858E-01 -0.136489E-01 1.032 0.412985E-01 0.445805E-01 0.373108E-01 -0.824087E-01 -0.136489E-01 1.034 -0.597602E+00 0.443562E-01 -0.600629E+00 -0.827926E-01 -0.136392E-01 1.036 -0.877801E+00 -0.727592E-02 -0.841510E+00 -0.222451E-01 -0.457212E-03 1.038 -0.136348E+00 -0.786022E-02 -0.111491E+00 -0.971286E-02 -0.241700E-03 1.040 -0.508785E-01 -0.796411E-02 -0.330709E-01 -0.249195E-02 -0.185914E-03 1.042 -0.247882E-01 -0.798815E-02 -0.119948E-01 0.253897E-02 -0.158865E-03 1.044 -0.135678E-01 -0.798638E-02 -0.446677E-02 0.619859E-02 -0.142801E-03 1.046 -0.755577E-02 -0.798689E-02 -0.869081E-03 0.858464E-02 -0.132260E-03 1.048 -0.403092E-02 -0.799554E-02 0.144601E-02 0.978174E-02 -0.125958E-03 1.050 -0.171625E-02 -0.799668E-02 0.249509E-02 0.110207E-01 -0.120776E-03 1.060 0.311459E-02 -0.803017E-02 0.478629E-02 0.134795E-01 -0.109750E-03 1.070 0.466529E-02 -0.805858E-02 0.535299E-02 0.143750E-01 -0.107447E-03 1.080 0.542096E-02 -0.804184E-02 0.471838E-02 0.155949E-01 -0.104651E-03 1.090 0.583065E-02 -0.798838E-02 0.339586E-02 0.170924E-01 -0.100703E-03 1.100 0.611073E-02 -0.789747E-02 0.169654E-02 0.187732E-01 -0.950442E-04 1.200 0.755029E-02 -0.779785E-02 0.140139E-02 0.191453E-01 -0.113110E-03 1.300 0.956058E-02 -0.745700E-02 0.548903E-02 0.155439E-01 -0.145607E-03 1.400 0.170447E-01 -0.721342E-02 0.327377E-01 -0.793979E-02 -0.187363E-03 1.500 0.162455E-01 -0.524285E-02 0.168433E-01 0.639271E-02 -0.220063E-03 1.600 0.211561E-01 -0.307909E-02 0.253965E-01 -0.391544E-03 -0.269210E-03 1.700 0.278043E-01 0.579181E-04 0.376198E-01 -0.988358E-02 -0.336671E-03 1.800 0.368497E-01 0.459846E-02 0.548307E-01 -0.230904E-01 -0.428307E-03 1.900 0.500548E-01 0.112361E-01 0.807826E-01 -0.425552E-01 -0.551201E-03 2.000 0.692904E-01 0.211167E-01 0.120117E+00 -0.719429E-01 -0.719671E-03 2.100 0.999840E-01 0.362138E-01 0.185232E+00 -0.119737E+00 -0.965601E-03 2.200 0.150263E+00 0.599229E-01 0.296888E+00 -0.201101E+00 -0.133235E-02 2.300 0.237676E+00 0.990583E-01 0.502043E+00 -0.350505E+00 -0.190010E-02 2.400 0.401770E+00 0.167908E+00 0.913835E+00 -0.651989E+00 -0.283422E-02 2.500 0.739769E+00 0.299718E+00 0.182938E+01 -0.132939E+01 -0.449279E-02 2.600 0.150802E+01 0.578759E+00 0.405391E+01 -0.299108E+01 -0.763235E-02 2.700 0.331100E+01 0.121225E+01 0.920557E+01 -0.679254E+01 -0.134361E-01 2.800 0.632272E+01 0.250714E+01 0.164438E+02 -0.119119E+02 -0.212887E-01 2.900 0.461681E+01 0.412398E+01 0.118879E+02 -0.101152E+02 -0.258245E-01 3.000 -0.543980E+01 0.419383E+01 -0.101951E+02 0.195945E+01 -0.228497E-01 3.100 -0.703252E+01 0.280467E+01 -0.141341E+02 0.529213E+01 -0.165589E-01 3.200 -0.428905E+01 0.165979E+01 -0.871110E+01 0.338468E+01 -0.117655E-01 3.300 -0.238837E+01 0.100172E+01 -0.484430E+01 0.184882E+01 -0.882194E-02 3.400 -0.139688E+01 0.631196E+00 -0.279847E+01 0.103031E+01 -0.703214E-02 3.500 -0.878937E+00 0.411117E+00 -0.171860E+01 0.604737E+00 -0.590571E-02 3.600 -0.592219E+00 0.272296E+00 -0.111661E+01 0.373115E+00 -0.517379E-02 3.700 -0.422281E+00 0.180206E+00 -0.758898E+00 0.239209E+00 -0.469227E-02 3.800 -0.314144E+00 0.116714E+00 -0.531963E+00 0.156391E+00 -0.437970E-02 3.900 -0.240157E+00 0.719152E-01 -0.378205E+00 0.101168E+00 -0.418945E-02 4.000 -0.185718E+00 0.401815E-01 -0.266957E+00 0.611482E-01 -0.409509E-02 4.100 -0.142781E+00 0.182067E-01 -0.181153E+00 0.294907E-01 -0.408199E-02 4.200 -0.106771E+00 0.398424E-02 -0.110965E+00 0.229753E-02 -0.414257E-02 4.300 -0.751156E-01 -0.373292E-02 -0.507584E-01 -0.226209E-01 -0.427380E-02 4.400 -0.463757E-01 -0.577640E-02 0.275942E-02 -0.465095E-01 -0.447497E-02 4.500 -0.199068E-01 -0.272489E-02 0.511980E-01 -0.698938E-01 -0.474693E-02 4.600 0.450466E-02 0.494154E-02 0.952597E-01 -0.929036E-01 -0.509068E-02 4.700 0.266947E-01 0.168234E-01 0.134805E+00 -0.115269E+00 -0.550797E-02 4.800 0.465489E-01 0.324204E-01 0.169820E+00 -0.136780E+00 -0.599716E-02 4.900 0.637177E-01 0.512657E-01 0.199713E+00 -0.156920E+00 -0.655701E-02 5.000 0.779530E-01 0.727976E-01 0.224101E+00 -0.175267E+00 -0.718297E-02 5.100 0.889492E-01 0.964767E-01 0.242395E+00 -0.191280E+00 -0.787133E-02 5.200 0.965693E-01 0.121658E+00 0.254375E+00 -0.204597E+00 -0.861374E-02 5.300 0.100712E+00 0.147700E+00 0.259847E+00 -0.214871E+00 -0.940109E-02 5.400 0.101386E+00 0.173937E+00 0.258836E+00 -0.221871E+00 -0.102222E-01 5.500 0.986560E-01 0.199731E+00 0.251432E+00 -0.225405E+00 -0.110655E-01 5.600 0.927222E-01 0.224453E+00 0.237993E+00 -0.225432E+00 -0.119176E-01 5.700 0.838774E-01 0.247522E+00 0.219025E+00 -0.221997E+00 -0.127650E-01 5.800 0.725299E-01 0.268422E+00 0.195231E+00 -0.215261E+00 -0.135941E-01 5.900 0.592061E-01 0.286715E+00 0.167547E+00 -0.205532E+00 -0.143916E-01 6.000 0.445057E-01 0.302064E+00 0.137009E+00 -0.193191E+00 -0.151450E-01 6.200 0.136478E-01 0.323160E+00 0.721762E-01 -0.162774E+00 -0.164782E-01 6.400 -0.149307E-01 0.331361E+00 0.101444E-01 -0.128625E+00 -0.175313E-01 6.600 -0.374679E-01 0.328038E+00 -0.416454E-01 -0.952280E-01 -0.182811E-01 6.800 -0.523761E-01 0.315703E+00 -0.793869E-01 -0.658429E-01 -0.187419E-01 7.000 -0.600492E-01 0.297246E+00 -0.102906E+00 -0.420710E-01 -0.189548E-01 7.200 -0.620327E-01 0.275324E+00 -0.114437E+00 -0.240745E-01 -0.189733E-01 7.400 -0.601690E-01 0.252028E+00 -0.117153E+00 -0.111318E-01 -0.188512E-01 7.600 -0.560655E-01 0.228813E+00 -0.114095E+00 -0.218471E-02 -0.186349E-01 7.800 -0.508993E-01 0.206581E+00 -0.107676E+00 0.380695E-02 -0.183598E-01 8.000 -0.454337E-01 0.185822E+00 -0.995958E-01 0.770648E-02 -0.180518E-01 8.250 -0.388299E-01 0.162257E+00 -0.887744E-01 0.106093E-01 -0.176447E-01 8.500 -0.328382E-01 0.141384E+00 -0.782184E-01 0.121134E-01 -0.172286E-01 8.750 -0.275722E-01 0.123057E+00 -0.684624E-01 0.127629E-01 -0.168102E-01 9.000 -0.230039E-01 0.107050E+00 -0.596843E-01 0.128915E-01 -0.163894E-01 9.250 -0.190479E-01 0.931160E-01 -0.518850E-01 0.127040E-01 -0.159617E-01 9.500 -0.156044E-01 0.810184E-01 -0.449888E-01 0.123279E-01 -0.155205E-01 9.750 -0.125800E-01 0.705439E-01 -0.388945E-01 0.118440E-01 -0.150580E-01 10.000 -0.989643E-02 0.615045E-01 -0.335020E-01 0.113047E-01 -0.145658E-01 10.250 -0.749447E-02 0.537356E-01 -0.287231E-01 0.107436E-01 -0.140356E-01 10.500 -0.533443E-02 0.470932E-01 -0.244873E-01 0.101827E-01 -0.134601E-01 10.600 -0.453294E-02 0.447222E-01 -0.229326E-01 0.996148E-02 -0.132159E-01 10.700 -0.376626E-02 0.425034E-01 -0.214541E-01 0.974331E-02 -0.129634E-01 10.800 -0.303404E-02 0.404287E-01 -0.200489E-01 0.952809E-02 -0.127025E-01 10.900 -0.233692E-02 0.384905E-01 -0.187158E-01 0.931643E-02 -0.124331E-01 11.000 -0.167471E-02 0.366826E-01 -0.174524E-01 0.910815E-02 -0.121555E-01 11.100 -0.104811E-02 0.349987E-01 -0.162579E-01 0.890369E-02 -0.118698E-01 11.200 -0.459828E-03 0.334314E-01 -0.151331E-01 0.870341E-02 -0.115766E-01 11.300 0.916084E-04 0.319726E-01 -0.140744E-01 0.850717E-02 -0.112762E-01 11.400 0.604423E-03 0.306165E-01 -0.130818E-01 0.831489E-02 -0.109694E-01 11.500 0.107781E-02 0.293565E-01 -0.121542E-01 0.812649E-02 -0.106571E-01 11.600 0.151197E-02 0.281865E-01 -0.112896E-01 0.794179E-02 -0.103403E-01 11.700 0.190548E-02 0.270997E-01 -0.104878E-01 0.776089E-02 -0.100198E-01 11.800 0.225891E-02 0.260911E-01 -0.974727E-02 0.758397E-02 -0.969714E-02 11.900 0.257231E-02 0.251526E-01 -0.906527E-02 0.741026E-02 -0.937292E-02 12.000 0.284735E-02 0.242802E-01 -0.843945E-02 0.724010E-02 -0.904888E-02 12.250 0.337526E-02 0.223526E-01 -0.710308E-02 0.682893E-02 -0.824775E-02 12.500 0.369683E-02 0.207226E-01 -0.605447E-02 0.643568E-02 -0.747027E-02 12.750 0.385215E-02 0.193304E-01 -0.524013E-02 0.606006E-02 -0.673401E-02 13.000 0.388110E-02 0.181182E-01 -0.461071E-02 0.570439E-02 -0.604379E-02 13.250 0.382860E-02 0.170616E-01 -0.412348E-02 0.537674E-02 -0.541228E-02 13.500 0.371758E-02 0.161209E-01 -0.375469E-02 0.508399E-02 -0.484926E-02 13.750 0.357473E-02 0.152676E-01 -0.345153E-02 0.480552E-02 -0.434386E-02 14.000 0.341463E-02 0.144854E-01 -0.319863E-02 0.454391E-02 -0.389253E-02 14.250 0.325149E-02 0.137660E-01 -0.298191E-02 0.430132E-02 -0.349014E-02 14.500 0.308667E-02 0.131038E-01 -0.279523E-02 0.407447E-02 -0.313609E-02 14.750 0.292930E-02 0.124928E-01 -0.263093E-02 0.386629E-02 -0.282383E-02 15.000 0.278014E-02 0.119303E-01 -0.249022E-02 0.367966E-02 -0.255002E-02 15.250 0.264430E-02 0.114037E-01 -0.235557E-02 0.350430E-02 -0.230882E-02 15.500 0.252277E-02 0.109199E-01 -0.224750E-02 0.336125E-02 -0.210467E-02 15.750 0.240828E-02 0.104581E-01 -0.213539E-02 0.321568E-02 -0.191748E-02 16.000 0.230775E-02 0.100321E-01 -0.202675E-02 0.308051E-02 -0.175030E-02 16.250 0.221146E-02 0.961940E-02 -0.192427E-02 0.295181E-02 -0.159513E-02 16.500 0.213399E-02 0.923356E-02 -0.182597E-02 0.284075E-02 -0.146992E-02 16.750 0.206598E-02 0.885091E-02 -0.170674E-02 0.271590E-02 -0.135554E-02 17.000 0.200402E-02 0.850879E-02 -0.159971E-02 0.260269E-02 -0.124352E-02 17.250 0.193176E-02 0.817685E-02 -0.150680E-02 0.249053E-02 -0.113487E-02 17.500 0.184605E-02 0.786435E-02 -0.144187E-02 0.238914E-02 -0.102932E-02 18.000 0.175226E-02 0.733229E-02 -0.128985E-02 0.222740E-02 -0.873466E-03 18.250 0.173707E-02 0.709521E-02 -0.119836E-02 0.215769E-02 -0.814918E-03 18.500 0.172218E-02 0.685816E-02 -0.111217E-02 0.209294E-02 -0.762648E-03 18.750 0.172012E-02 0.665164E-02 -0.103268E-02 0.204330E-02 -0.719645E-03 19.000 0.172365E-02 0.648347E-02 -0.974610E-03 0.201565E-02 -0.676502E-03 19.250 0.174667E-02 0.636519E-02 -0.899214E-03 0.198455E-02 -0.643560E-03 19.500 0.179049E-02 0.630668E-02 -0.823818E-03 0.196748E-02 -0.611372E-03 19.750 0.185499E-02 0.628649E-02 -0.742772E-03 0.196114E-02 -0.577276E-03 20.000 0.194397E-02 0.630103E-02 -0.643722E-03 0.195752E-02 -0.549059E-03 S6 - EF NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 -0.654411E-02 0.755965E-02 -0.170561E-01 -0.460738E-02 0.408745E-04 1.010 -0.700018E-02 0.742972E-02 -0.447212E-01 0.230085E-01 0.132174E-04 1.012 -0.706163E-02 0.742079E-02 -0.550820E-01 0.333548E-01 0.866654E-05 1.014 -0.705417E-02 0.738991E-02 -0.735282E-01 0.518983E-01 0.104158E-05 1.016 -0.708053E-02 0.733116E-02 -0.108138E+00 0.866256E-01 -0.104058E-04 1.018 -0.738448E-02 0.699854E-02 -0.239672E+00 0.218538E+00 -0.632888E-04 1.020 -0.849023E-02 0.586683E-02 -0.976481E+00 0.956487E+00 -0.243494E-03 1.022 0.444198E-01 0.314025E-01 0.259473E+03 -0.259490E+03 0.618140E-02 1.024 0.123728E+00 0.125900E+00 0.681951E-01 -0.190365E+00 0.202893E-01 1.026 0.123333E+00 0.125929E+00 -0.130537E-01 -0.109089E+00 0.202860E-01 1.028 0.122967E+00 0.125887E+00 -0.265186E-01 -0.954310E-01 0.202795E-01 1.030 0.122609E+00 0.125829E+00 -0.309073E-01 -0.908124E-01 0.202724E-01 1.032 0.122251E+00 0.125764E+00 -0.328823E-01 -0.885948E-01 0.202652E-01 1.034 0.121909E+00 0.125697E+00 -0.339932E-01 -0.872262E-01 0.202579E-01 1.036 0.121555E+00 0.125627E+00 -0.346641E-01 -0.863039E-01 0.202506E-01 1.038 0.121219E+00 0.125557E+00 -0.350769E-01 -0.856244E-01 0.202433E-01 1.040 0.120872E+00 0.125484E+00 -0.353687E-01 -0.850741E-01 0.202360E-01 1.042 0.120533E+00 0.125412E+00 -0.355854E-01 -0.845950E-01 0.202286E-01 1.044 0.120199E+00 0.125339E+00 -0.357525E-01 -0.841613E-01 0.202213E-01 1.046 0.119863E+00 0.125266E+00 -0.358848E-01 -0.837655E-01 0.202140E-01 1.048 0.119523E+00 0.125190E+00 -0.359886E-01 -0.834004E-01 0.202067E-01 1.050 0.119199E+00 0.125117E+00 -0.360692E-01 -0.830489E-01 0.201994E-01 1.060 0.117562E+00 0.124742E+00 -0.364130E-01 -0.813881E-01 0.201631E-01 1.070 0.115948E+00 0.124368E+00 -0.367155E-01 -0.797996E-01 0.201272E-01 1.080 0.114341E+00 0.123994E+00 -0.370582E-01 -0.782192E-01 0.200916E-01 1.090 0.112749E+00 0.123618E+00 -0.374181E-01 -0.766556E-01 0.200565E-01 1.100 0.111195E+00 0.123241E+00 -0.377476E-01 -0.751322E-01 0.200217E-01 1.200 0.971434E-01 0.119302E+00 -0.398657E-01 -0.618280E-01 0.196955E-01 1.300 0.851062E-01 0.115167E+00 -0.416377E-01 -0.504364E-01 0.194082E-01 1.400 0.741892E-01 0.110904E+00 -0.443759E-01 -0.389650E-01 0.191519E-01 1.500 0.651993E-01 0.106419E+00 -0.449773E-01 -0.317152E-01 0.189406E-01 1.600 0.566567E-01 0.101784E+00 -0.470888E-01 -0.234847E-01 0.187633E-01 1.700 0.487926E-01 0.969413E-01 -0.495261E-01 -0.157300E-01 0.186288E-01 1.800 0.412649E-01 0.918179E-01 -0.526125E-01 -0.814248E-02 0.185381E-01 1.900 0.338193E-01 0.863397E-01 -0.567620E-01 -0.302655E-03 0.184963E-01 2.000 0.261339E-01 0.803998E-01 -0.625253E-01 0.825932E-02 0.185130E-01 2.100 0.177798E-01 0.738077E-01 -0.708653E-01 0.183521E-01 0.186012E-01 2.200 0.822598E-02 0.662605E-01 -0.830992E-01 0.310883E-01 0.187802E-01 2.300 -0.355022E-02 0.572728E-01 -0.102016E+00 0.486630E-01 0.190820E-01 2.400 -0.193635E-01 0.459777E-01 -0.132588E+00 0.749103E-01 0.195519E-01 2.500 -0.425791E-01 0.308649E-01 -0.185053E+00 0.117782E+00 0.202689E-01 2.600 -0.800672E-01 0.894806E-02 -0.280997E+00 0.194047E+00 0.213714E-01 2.700 -0.146355E+00 -0.259064E-01 -0.461024E+00 0.333859E+00 0.230858E-01 2.800 -0.265564E+00 -0.831527E-01 -0.724465E+00 0.518296E+00 0.255328E-01 2.900 -0.426721E+00 -0.155577E+00 -0.743322E+00 0.423895E+00 0.277563E-01 3.000 -0.539744E+00 -0.210548E+00 -0.434735E+00 0.353561E-01 0.289446E-01 3.100 -0.512404E+00 -0.238089E+00 -0.169398E+00 -0.189401E+00 0.302758E-01 3.200 -0.311107E+00 -0.241452E+00 0.865186E-01 -0.246718E+00 0.318980E-01 3.300 -0.830954E-01 -0.221862E+00 0.276518E+00 -0.225152E+00 0.328141E-01 3.400 0.320955E-01 -0.190685E+00 0.324592E+00 -0.180329E+00 0.327594E-01 3.500 0.624007E-01 -0.159500E+00 0.291533E+00 -0.137989E+00 0.321607E-01 3.600 0.600175E-01 -0.132969E+00 0.239255E+00 -0.105365E+00 0.313734E-01 3.700 0.490265E-01 -0.111578E+00 0.190960E+00 -0.816206E-01 0.305638E-01 3.800 0.375298E-01 -0.946184E-01 0.151706E+00 -0.643768E-01 0.297874E-01 3.900 0.276941E-01 -0.811435E-01 0.121024E+00 -0.517178E-01 0.290465E-01 4.000 0.198044E-01 -0.703744E-01 0.972637E-01 -0.422721E-01 0.283421E-01 4.100 0.136126E-01 -0.617069E-01 0.787085E-01 -0.349949E-01 0.276675E-01 4.200 0.877422E-02 -0.546987E-01 0.639265E-01 -0.291053E-01 0.270111E-01 4.300 0.496083E-02 -0.490318E-01 0.518255E-01 -0.240592E-01 0.263599E-01 4.400 0.190825E-02 -0.444785E-01 0.414909E-01 -0.193651E-01 0.256945E-01 4.500 -0.611649E-03 -0.409080E-01 0.322140E-01 -0.146443E-01 0.249996E-01 4.600 -0.278516E-02 -0.382381E-01 0.233879E-01 -0.954784E-02 0.242487E-01 4.700 -0.479183E-02 -0.364697E-01 0.144940E-01 -0.376684E-02 0.234223E-01 4.800 -0.675082E-02 -0.356038E-01 0.501418E-02 0.306990E-02 0.224704E-01 4.900 -0.881642E-02 -0.357461E-01 -0.544489E-02 0.112187E-01 0.213616E-01 5.000 -0.111115E-01 -0.370065E-01 -0.171844E-01 0.208755E-01 0.200374E-01 5.100 -0.137895E-01 -0.395536E-01 -0.301681E-01 0.318898E-01 0.184425E-01 5.200 -0.169286E-01 -0.434796E-01 -0.435992E-01 0.433935E-01 0.165058E-01 5.300 -0.205378E-01 -0.487491E-01 -0.553778E-01 0.532359E-01 0.141804E-01 5.400 -0.244567E-01 -0.550108E-01 -0.620510E-01 0.579687E-01 0.114830E-01 5.500 -0.283493E-01 -0.615689E-01 -0.603579E-01 0.543973E-01 0.854486E-02 5.600 -0.317631E-01 -0.674963E-01 -0.501112E-01 0.424538E-01 0.560380E-02 5.700 -0.343530E-01 -0.720612E-01 -0.348701E-01 0.258018E-01 0.291143E-02 5.800 -0.360124E-01 -0.749888E-01 -0.191012E-01 0.894692E-02 0.625291E-03 5.900 -0.368188E-01 -0.763760E-01 -0.567177E-02 -0.525689E-02 -0.121175E-02 6.000 -0.369610E-01 -0.765323E-01 0.467917E-02 -0.161294E-01 -0.264175E-02 6.200 -0.359243E-01 -0.743373E-01 0.174710E-01 -0.294156E-01 -0.454991E-02 6.400 -0.339339E-01 -0.702640E-01 0.234032E-01 -0.353796E-01 -0.558428E-02 6.600 -0.315572E-01 -0.653822E-01 0.255418E-01 -0.372862E-01 -0.605996E-02 6.800 -0.290920E-01 -0.602843E-01 0.255585E-01 -0.369199E-01 -0.616552E-02 7.000 -0.266976E-01 -0.553022E-01 0.243912E-01 -0.352882E-01 -0.602312E-02 7.200 -0.244571E-01 -0.506156E-01 0.226074E-01 -0.330046E-01 -0.571902E-02 7.400 -0.224100E-01 -0.463114E-01 0.205697E-01 -0.304630E-01 -0.531695E-02 7.600 -0.205688E-01 -0.424176E-01 0.184992E-01 -0.279055E-01 -0.486326E-02 7.800 -0.189308E-01 -0.389271E-01 0.165240E-01 -0.254735E-01 -0.439096E-02 8.000 -0.174835E-01 -0.358160E-01 0.147070E-01 -0.232365E-01 -0.392132E-02 8.250 -0.159182E-01 -0.324072E-01 0.126943E-01 -0.207562E-01 -0.335906E-02 8.500 -0.145918E-01 -0.294651E-01 0.109679E-01 -0.186267E-01 -0.283756E-02 8.750 -0.134708E-01 -0.269212E-01 0.950477E-02 -0.168222E-01 -0.236257E-02 9.000 -0.125241E-01 -0.247134E-01 0.827504E-02 -0.153073E-01 -0.193438E-02 9.250 -0.117233E-01 -0.227866E-01 0.725061E-02 -0.140471E-01 -0.155006E-02 9.500 -0.110423E-01 -0.210924E-01 0.640845E-02 -0.130103E-01 -0.120495E-02 9.750 -0.104568E-01 -0.195869E-01 0.573104E-02 -0.121700E-01 -0.893343E-03 10.000 -0.994255E-02 -0.182305E-01 0.520663E-02 -0.115031E-01 -0.609184E-03 10.250 -0.947473E-02 -0.169858E-01 0.482819E-02 -0.109886E-01 -0.346112E-03 10.500 -0.902625E-02 -0.158170E-01 0.459295E-02 -0.106064E-01 -0.977283E-04 10.600 -0.884560E-02 -0.153628E-01 0.453928E-02 -0.104862E-01 -0.109491E-05 10.700 -0.866094E-02 -0.149126E-01 0.450946E-02 -0.103830E-01 0.946260E-04 10.800 -0.847022E-02 -0.144642E-01 0.450294E-02 -0.102946E-01 0.189791E-03 10.900 -0.827074E-02 -0.140153E-01 0.452136E-02 -0.102205E-01 0.284712E-03 11.000 -0.806039E-02 -0.135633E-01 0.456408E-02 -0.101584E-01 0.379921E-03 11.100 -0.783638E-02 -0.131054E-01 0.463243E-02 -0.101075E-01 0.475741E-03 11.200 -0.759474E-02 -0.126394E-01 0.472926E-02 -0.100670E-01 0.572268E-03 11.300 -0.733405E-02 -0.121623E-01 0.485233E-02 -0.100338E-01 0.670348E-03 11.400 -0.705055E-02 -0.116713E-01 0.500430E-02 -0.100073E-01 0.770120E-03 11.500 -0.674103E-02 -0.111635E-01 0.518649E-02 -0.998605E-02 0.871959E-03 11.600 -0.640235E-02 -0.106364E-01 0.540025E-02 -0.996874E-02 0.975850E-03 11.700 -0.603066E-02 -0.100855E-01 0.564747E-02 -0.995410E-02 0.108283E-02 11.800 -0.562275E-02 -0.950831E-02 0.592982E-02 -0.994099E-02 0.119284E-02 11.900 -0.517495E-02 -0.890033E-02 0.624869E-02 -0.992778E-02 0.130649E-02 12.000 -0.468397E-02 -0.825803E-02 0.660588E-02 -0.991350E-02 0.142377E-02 12.250 -0.324533E-02 -0.648029E-02 0.767997E-02 -0.986729E-02 0.173561E-02 12.500 -0.146449E-02 -0.439926E-02 0.903420E-02 -0.979482E-02 0.207841E-02 12.750 0.695676E-03 -0.194290E-02 0.106754E-01 -0.967491E-02 0.246079E-02 13.000 0.325537E-02 0.971034E-03 0.125992E-01 -0.949321E-02 0.288995E-02 13.250 0.621607E-02 0.442774E-02 0.147853E-01 -0.923761E-02 0.337255E-02 13.500 0.952066E-02 0.847719E-02 0.171674E-01 -0.890261E-02 0.391072E-02 13.750 0.130249E-01 0.131385E-01 0.195916E-01 -0.847772E-02 0.450581E-02 14.000 0.165193E-01 0.184083E-01 0.218448E-01 -0.795525E-02 0.515476E-02 14.250 0.197333E-01 0.242243E-01 0.236691E-01 -0.733567E-02 0.584727E-02 14.500 0.223481E-01 0.304319E-01 0.247754E-01 -0.662483E-02 0.656655E-02 14.750 0.241317E-01 0.368350E-01 0.249802E-01 -0.584314E-02 0.728936E-02 15.000 0.249774E-01 0.431932E-01 0.242337E-01 -0.501542E-02 0.799091E-02 15.250 0.249579E-01 0.492546E-01 0.226725E-01 -0.417421E-02 0.864702E-02 15.500 0.242602E-01 0.548647E-01 0.205264E-01 -0.334546E-02 0.924348E-02 15.750 0.231580E-01 0.598661E-01 0.181124E-01 -0.255645E-02 0.976913E-02 16.000 0.218668E-01 0.642505E-01 0.156533E-01 -0.181784E-02 0.102259E-01 16.250 0.205694E-01 0.680034E-01 0.133419E-01 -0.114209E-02 0.106154E-01 16.500 0.193584E-01 0.711616E-01 0.112644E-01 -0.531704E-03 0.109432E-01 16.750 0.182849E-01 0.737987E-01 0.945621E-02 0.168998E-04 0.112193E-01 17.000 0.173560E-01 0.760152E-01 0.789898E-02 0.514057E-03 0.114550E-01 17.250 0.165740E-01 0.778579E-01 0.658606E-02 0.960980E-03 0.116547E-01 17.500 0.159209E-01 0.793949E-01 0.548072E-02 0.136651E-02 0.118268E-01 18.000 0.149318E-01 0.817569E-01 0.377623E-02 0.207143E-02 0.121056E-01 18.250 0.145680E-01 0.826451E-01 0.313366E-02 0.237739E-02 0.122186E-01 18.500 0.142738E-01 0.833763E-01 0.260221E-02 0.265793E-02 0.123185E-01 18.750 0.140342E-01 0.839830E-01 0.215981E-02 0.291619E-02 0.124076E-01 19.000 0.138400E-01 0.844895E-01 0.179132E-02 0.315501E-02 0.124874E-01 19.250 0.136853E-01 0.849128E-01 0.148283E-02 0.338038E-02 0.125615E-01 19.500 0.135638E-01 0.852675E-01 0.122466E-02 0.359373E-02 0.126308E-01 19.750 0.134684E-01 0.855646E-01 0.101088E-02 0.379272E-02 0.126943E-01 20.000 0.133966E-01 0.858111E-01 0.834932E-03 0.398060E-02 0.127541E-01 S6 - GK NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 0.307665E-02 -0.677115E-02 0.346843E-01 -0.180653E-01 0.229914E-04 1.010 0.144017E-02 -0.654093E-02 0.900621E-01 -0.756696E-01 0.586026E-04 1.012 0.128437E-02 -0.652531E-02 0.111478E+00 -0.972977E-01 0.623080E-04 1.014 0.124181E-02 -0.646155E-02 0.150157E+00 -0.136171E+00 0.674457E-04 1.016 0.282442E-02 -0.630714E-02 0.224296E+00 -0.209056E+00 0.673963E-04 1.018 0.336769E-02 -0.560376E-02 0.500329E+00 -0.485952E+00 0.112398E-03 1.020 0.505973E-02 -0.322724E-02 0.204615E+01 -0.203476E+01 0.269797E-03 1.022 -0.803168E-01 -0.745983E-01 -0.539015E+03 0.539081E+03 -0.541247E-02 1.024 -0.261690E+00 -0.264617E+00 -0.534884E-01 0.308628E+00 -0.175727E-01 1.026 -0.260886E+00 -0.264582E+00 0.504560E-01 0.204412E+00 -0.175710E-01 1.028 -0.259876E+00 -0.264459E+00 0.664090E-01 0.188227E+00 -0.175670E-01 1.030 -0.258001E+00 -0.264317E+00 0.724429E-01 0.182793E+00 -0.175625E-01 1.032 -0.248441E+00 -0.264157E+00 0.833683E-01 0.180123E+00 -0.175573E-01 1.034 0.474780E+00 -0.263770E+00 0.806381E+00 0.178595E+00 -0.175360E-01 1.036 -0.516285E+01 0.738386E-02 -0.516200E+01 -0.151001E-01 0.458550E-03 1.038 -0.825434E+00 0.337280E-02 -0.821450E+00 -0.104821E-01 0.184385E-03 1.040 -0.324572E+00 0.238976E-02 -0.320524E+00 -0.864365E-02 0.114218E-03 1.042 -0.172056E+00 0.194782E-02 -0.168284E+00 -0.751116E-02 0.806794E-04 1.044 -0.107021E+00 0.170941E-02 -0.103570E+00 -0.672579E-02 0.610449E-04 1.046 -0.722168E-01 0.155026E-02 -0.689652E-01 -0.621574E-02 0.478598E-04 1.048 -0.521685E-01 0.144586E-02 -0.489919E-01 -0.593593E-02 0.394545E-04 1.050 -0.390859E-01 0.136864E-02 -0.360268E-01 -0.566605E-02 0.326211E-04 1.060 -0.126965E-01 0.118012E-02 -0.982595E-02 -0.509723E-02 0.153470E-04 1.070 -0.494275E-02 0.112423E-02 -0.214731E-02 -0.489682E-02 0.835860E-05 1.080 -0.151742E-02 0.112317E-02 0.108923E-02 -0.468660E-02 0.226039E-05 1.090 0.420374E-03 0.114573E-02 0.275934E-02 -0.444124E-02 -0.422001E-05 1.100 0.165983E-02 0.118402E-02 0.370966E-02 -0.420258E-02 -0.117144E-04 1.200 0.539331E-02 0.174345E-02 0.680853E-02 -0.432097E-02 -0.282233E-04 1.300 0.772355E-02 0.253692E-02 0.921111E-02 -0.539052E-02 -0.375264E-04 1.400 0.919801E-02 0.359652E-02 0.113978E-01 -0.676327E-02 -0.394937E-04 1.500 0.131659E-01 0.495497E-02 0.146030E-01 -0.804366E-02 -0.745825E-04 1.600 0.170721E-01 0.669116E-02 0.190102E-01 -0.103021E-01 -0.102612E-03 1.700 0.220414E-01 0.889378E-02 0.250302E-01 -0.134521E-01 -0.134345E-03 1.800 0.285150E-01 0.117383E-01 0.332124E-01 -0.177401E-01 -0.171584E-03 1.900 0.373165E-01 0.155770E-01 0.448729E-01 -0.239532E-01 -0.219794E-03 2.000 0.495309E-01 0.208189E-01 0.617608E-01 -0.330489E-01 -0.285067E-03 2.100 0.674796E-01 0.281197E-01 0.884289E-01 -0.477300E-01 -0.370298E-03 2.200 0.949444E-01 0.386232E-01 0.131375E+00 -0.715424E-01 -0.493778E-03 2.300 0.138730E+00 0.544395E-01 0.203299E+00 -0.111907E+00 -0.691904E-03 2.400 0.212087E+00 0.793872E-01 0.329101E+00 -0.183170E+00 -0.103119E-02 2.500 0.339617E+00 0.120630E+00 0.560025E+00 -0.316912E+00 -0.164698E-02 2.600 0.561381E+00 0.192449E+00 0.994067E+00 -0.580724E+00 -0.285663E-02 2.700 0.891447E+00 0.320815E+00 0.173761E+01 -0.108380E+01 -0.538397E-02 2.800 0.105440E+01 0.523162E+00 0.231426E+01 -0.163355E+01 -0.104613E-01 2.900 0.396048E+00 0.682586E+00 0.820241E+00 -0.894942E+00 -0.175181E-01 3.000 -0.479326E+00 0.634240E+00 -0.127821E+01 0.376056E+00 -0.217195E-01 3.100 -0.793624E+00 0.468857E+00 -0.172201E+01 0.625895E+00 -0.208231E-01 3.200 -0.743108E+00 0.308605E+00 -0.140625E+01 0.470260E+00 -0.166190E-01 3.300 -0.525496E+00 0.190876E+00 -0.947040E+00 0.305861E+00 -0.116550E-01 3.400 -0.316723E+00 0.115456E+00 -0.585700E+00 0.201062E+00 -0.765936E-02 3.500 -0.184041E+00 0.689998E-01 -0.363992E+00 0.140523E+00 -0.489197E-02 3.600 -0.109614E+00 0.395981E-01 -0.236805E+00 0.105192E+00 -0.301541E-02 3.700 -0.679966E-01 0.199840E-01 -0.162076E+00 0.832776E-01 -0.169462E-02 3.800 -0.438591E-01 0.628167E-02 -0.115690E+00 0.685252E-01 -0.722227E-03 3.900 -0.290733E-01 -0.363958E-02 -0.847476E-01 0.575407E-01 0.234360E-04 4.000 -0.194164E-01 -0.109497E-01 -0.623205E-01 0.483790E-01 0.611782E-03 4.100 -0.126273E-01 -0.162888E-01 -0.444864E-01 0.398048E-01 0.108325E-02 4.200 -0.746232E-02 -0.199922E-01 -0.289174E-01 0.309751E-01 0.145655E-02 4.300 -0.322874E-02 -0.222065E-01 -0.141433E-01 0.212431E-01 0.173976E-02 4.400 0.463415E-03 -0.229605E-01 0.845509E-03 0.100545E-01 0.193134E-02 4.500 0.381287E-02 -0.221901E-01 0.167296E-01 -0.305441E-02 0.202359E-02 4.600 0.689328E-02 -0.197633E-01 0.340858E-01 -0.185998E-01 0.200228E-02 4.700 0.969188E-02 -0.154757E-01 0.533778E-01 -0.371005E-01 0.184882E-02 4.800 0.121568E-01 -0.910379E-02 0.751911E-01 -0.592410E-01 0.154770E-02 4.900 0.141967E-01 -0.335768E-03 0.100004E+00 -0.856700E-01 0.107766E-02 5.000 0.157014E-01 0.111509E-01 0.128091E+00 -0.116850E+00 0.420102E-03 5.100 0.165461E-01 0.257593E-01 0.158931E+00 -0.152487E+00 -0.440337E-03 5.200 0.166319E-01 0.436809E-01 0.190200E+00 -0.190368E+00 -0.149122E-02 5.300 0.158976E-01 0.647352E-01 0.216210E+00 -0.224741E+00 -0.268032E-02 5.400 0.143798E-01 0.879018E-01 0.227773E+00 -0.245949E+00 -0.388898E-02 5.500 0.122879E-01 0.111239E+00 0.216400E+00 -0.244562E+00 -0.493793E-02 5.600 0.998909E-02 0.132221E+00 0.182037E+00 -0.219270E+00 -0.564110E-02 5.700 0.789601E-02 0.148905E+00 0.134963E+00 -0.179314E+00 -0.589250E-02 5.800 0.631104E-02 0.160650E+00 0.878934E-01 -0.136979E+00 -0.570049E-02 5.900 0.536285E-02 0.167879E+00 0.488694E-01 -0.100415E+00 -0.514613E-02 6.000 0.504751E-02 0.171588E+00 0.197774E-01 -0.719259E-01 -0.433391E-02 6.200 0.597416E-02 0.172193E+00 -0.136985E-01 -0.358733E-01 -0.226844E-02 6.400 0.829031E-02 0.168166E+00 -0.267947E-01 -0.174668E-01 0.293858E-04 6.600 0.112939E-01 0.162538E+00 -0.298885E-01 -0.807145E-02 0.232431E-02 6.800 0.144928E-01 0.156752E+00 -0.284136E-01 -0.319729E-02 0.449611E-02 7.000 0.175798E-01 0.151449E+00 -0.250632E-01 -0.628147E-03 0.648190E-02 7.200 0.203871E-01 0.146866E+00 -0.211586E-01 0.749662E-03 0.825272E-02 7.400 0.228425E-01 0.143050E+00 -0.173476E-01 0.152810E-02 0.980195E-02 7.600 0.249336E-01 0.139952E+00 -0.139124E-01 0.201639E-02 0.111374E-01 7.800 0.266814E-01 0.137490E+00 -0.109496E-01 0.237703E-02 0.122752E-01 8.000 0.281220E-01 0.135570E+00 -0.845751E-02 0.268703E-02 0.132355E-01 8.250 0.295541E-01 0.133796E+00 -0.593608E-02 0.305482E-02 0.142179E-01 8.500 0.306492E-01 0.132579E+00 -0.396336E-02 0.341751E-02 0.149940E-01 8.750 0.314752E-01 0.131797E+00 -0.242363E-02 0.377376E-02 0.155977E-01 9.000 0.320885E-01 0.131356E+00 -0.121809E-02 0.411626E-02 0.160577E-01 9.250 0.325344E-01 0.131183E+00 -0.269212E-03 0.443967E-02 0.163977E-01 9.500 0.328491E-01 0.131221E+00 0.480802E-03 0.474287E-02 0.166378E-01 9.750 0.330620E-01 0.131425E+00 0.107372E-02 0.502925E-02 0.167945E-01 10.000 0.331969E-01 0.131761E+00 0.153892E-02 0.530576E-02 0.168822E-01 10.250 0.332737E-01 0.132199E+00 0.189721E-02 0.558162E-02 0.169132E-01 10.500 0.333096E-01 0.132714E+00 0.216421E-02 0.586660E-02 0.168985E-01 10.600 0.333159E-01 0.132937E+00 0.224824E-02 0.598525E-02 0.168820E-01 10.700 0.333189E-01 0.133167E+00 0.232043E-02 0.610732E-02 0.168604E-01 10.800 0.333194E-01 0.133405E+00 0.238154E-02 0.623325E-02 0.168341E-01 10.900 0.333180E-01 0.133648E+00 0.243171E-02 0.636382E-02 0.168037E-01 11.000 0.333158E-01 0.133895E+00 0.247247E-02 0.649872E-02 0.167697E-01 11.100 0.333130E-01 0.134146E+00 0.250426E-02 0.663829E-02 0.167326E-01 11.200 0.333103E-01 0.134400E+00 0.252641E-02 0.678391E-02 0.166925E-01 11.300 0.333084E-01 0.134656E+00 0.254150E-02 0.693405E-02 0.166503E-01 11.400 0.333075E-01 0.134912E+00 0.254918E-02 0.708953E-02 0.166061E-01 11.500 0.333080E-01 0.135169E+00 0.254986E-02 0.725049E-02 0.165603E-01 11.600 0.333097E-01 0.135427E+00 0.254391E-02 0.741638E-02 0.165127E-01 11.700 0.333134E-01 0.135682E+00 0.253151E-02 0.758835E-02 0.164644E-01 11.800 0.333187E-01 0.135937E+00 0.251268E-02 0.776593E-02 0.164149E-01 11.900 0.333255E-01 0.136188E+00 0.248790E-02 0.794889E-02 0.163649E-01 12.000 0.333334E-01 0.136437E+00 0.245646E-02 0.813747E-02 0.163142E-01 12.250 0.333532E-01 0.137044E+00 0.234540E-02 0.863330E-02 0.161839E-01 12.500 0.333603E-01 0.137619E+00 0.217767E-02 0.916362E-02 0.160484E-01 12.750 0.333340E-01 0.138143E+00 0.193887E-02 0.972570E-02 0.159075E-01 13.000 0.332400E-01 0.138593E+00 0.160133E-02 0.103167E-01 0.157583E-01 13.250 0.330304E-01 0.138938E+00 0.112226E-02 0.109363E-01 0.155937E-01 13.500 0.326486E-01 0.139140E+00 0.450566E-03 0.115847E-01 0.154057E-01 13.750 0.320472E-01 0.139145E+00 -0.446442E-03 0.122544E-01 0.151880E-01 14.000 0.311988E-01 0.138890E+00 -0.157876E-02 0.129362E-01 0.149332E-01 14.250 0.301199E-01 0.138320E+00 -0.290973E-02 0.136164E-01 0.146338E-01 14.500 0.289038E-01 0.137391E+00 -0.432457E-02 0.142778E-01 0.142901E-01 14.750 0.276949E-01 0.136102E+00 -0.566484E-02 0.149052E-01 0.139044E-01 15.000 0.266656E-01 0.134492E+00 -0.674778E-02 0.154811E-01 0.134868E-01 15.250 0.259540E-01 0.132650E+00 -0.743939E-02 0.159967E-01 0.130535E-01 15.500 0.256203E-01 0.130674E+00 -0.769086E-02 0.164499E-01 0.126191E-01 15.750 0.256378E-01 0.128692E+00 -0.754759E-02 0.168436E-01 0.122015E-01 16.000 0.259315E-01 0.126779E+00 -0.710163E-02 0.171858E-01 0.118101E-01 16.250 0.264006E-01 0.125013E+00 -0.647149E-02 0.174858E-01 0.114533E-01 16.500 0.269627E-01 0.123439E+00 -0.575264E-02 0.177531E-01 0.111353E-01 16.750 0.275503E-01 0.122067E+00 -0.502107E-02 0.179963E-01 0.108549E-01 17.000 0.281254E-01 0.120873E+00 -0.431582E-02 0.182209E-01 0.106077E-01 17.250 0.286586E-01 0.119857E+00 -0.366931E-02 0.184315E-01 0.103924E-01 17.500 0.291417E-01 0.118996E+00 -0.308921E-02 0.186313E-01 0.102045E-01 18.000 0.299485E-01 0.117658E+00 -0.213769E-02 0.190131E-01 0.989745E-02 18.250 0.302730E-01 0.117157E+00 -0.176508E-02 0.191990E-01 0.977356E-02 18.500 0.305505E-01 0.116749E+00 -0.145231E-02 0.193813E-01 0.966629E-02 18.750 0.307887E-01 0.116417E+00 -0.119008E-02 0.195609E-01 0.957268E-02 19.000 0.309927E-01 0.116145E+00 -0.971351E-03 0.197383E-01 0.949072E-02 19.250 0.311680E-01 0.115919E+00 -0.790395E-03 0.199148E-01 0.941877E-02 19.500 0.313185E-01 0.115731E+00 -0.642405E-03 0.200910E-01 0.935537E-02 19.750 0.314476E-01 0.115577E+00 -0.522444E-03 0.202660E-01 0.929947E-02 20.000 0.315578E-01 0.115451E+00 -0.427345E-03 0.204400E-01 0.925018E-02 S6 - H NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 0.708167E-01 0.456626E-01 0.527080E-01 -0.732165E-01 -0.136711E-01 1.010 0.740170E-01 0.468732E-01 0.577235E-01 -0.765248E-01 -0.136694E-01 1.012 0.768012E-01 0.468106E-01 0.635995E-01 -0.793094E-01 -0.136677E-01 1.014 0.803344E-01 0.464018E-01 0.715975E-01 -0.827855E-01 -0.136639E-01 1.016 0.841837E-01 0.454467E-01 0.809739E-01 -0.862521E-01 -0.136579E-01 1.018 0.847049E-01 0.449309E-01 0.823842E-01 -0.859521E-01 -0.136538E-01 1.020 0.843932E-01 0.445823E-01 0.757234E-01 -0.787465E-01 -0.136494E-01 1.022 -0.884763E-01 -0.421837E-01 0.294673E+02 -0.294732E+02 0.129617E-01 1.024 -0.523559E-01 -0.830889E-03 0.384400E+00 -0.435133E+00 0.209610E-03 1.026 -0.868655E-01 -0.574113E-03 0.239927E-01 -0.109739E+00 0.585719E-04 1.028 -0.159429E+00 -0.722909E-03 -0.109619E+00 -0.484035E-01 -0.103881E-04 1.030 -0.343980E+00 -0.118460E-02 -0.314428E+00 -0.272514E-01 -0.707137E-04 1.032 -0.109810E+01 -0.248666E-02 -0.107636E+01 -0.169204E-01 -0.174935E-03 1.034 -0.168451E+02 -0.114783E-01 -0.168174E+02 -0.547187E-02 -0.786453E-03 1.036 -0.401879E+00 -0.263759E+00 -0.692218E-01 0.176530E+00 -0.175431E-01 1.038 -0.267094E+00 -0.263687E+00 0.652300E-01 0.175744E+00 -0.175436E-01 1.040 -0.258712E+00 -0.263538E+00 0.731996E-01 0.174893E+00 -0.175397E-01 1.042 -0.256290E+00 -0.263385E+00 0.751576E-01 0.174089E+00 -0.175353E-01 1.044 -0.254981E+00 -0.263229E+00 0.759517E-01 0.173337E+00 -0.175309E-01 1.046 -0.253971E+00 -0.263071E+00 0.764252E-01 0.172608E+00 -0.175264E-01 1.048 -0.253085E+00 -0.262908E+00 0.767403E-01 0.171908E+00 -0.175219E-01 1.050 -0.252290E+00 -0.262751E+00 0.769497E-01 0.171238E+00 -0.175174E-01 1.060 -0.248549E+00 -0.261948E+00 0.777288E-01 0.167964E+00 -0.174950E-01 1.070 -0.244964E+00 -0.261144E+00 0.783810E-01 0.164775E+00 -0.174728E-01 1.080 -0.241410E+00 -0.260339E+00 0.791055E-01 0.161594E+00 -0.174508E-01 1.090 -0.237901E+00 -0.259533E+00 0.798548E-01 0.158452E+00 -0.174290E-01 1.100 -0.234463E+00 -0.258725E+00 0.805616E-01 0.155384E+00 -0.174073E-01 1.200 -0.203108E+00 -0.250304E+00 0.858112E-01 0.128254E+00 -0.172036E-01 1.300 -0.176300E+00 -0.241461E+00 0.895676E-01 0.105611E+00 -0.170223E-01 1.400 -0.151006E+00 -0.232481E+00 0.982769E-01 0.817340E-01 -0.168575E-01 1.500 -0.131727E+00 -0.222937E+00 0.963572E-01 0.691650E-01 -0.167204E-01 1.600 -0.112560E+00 -0.213151E+00 0.100182E+00 0.536965E-01 -0.166024E-01 1.700 -0.946325E-01 -0.202873E+00 0.104700E+00 0.393417E-01 -0.165109E-01 1.800 -0.768823E-01 -0.192009E+00 0.111308E+00 0.251530E-01 -0.164457E-01 1.900 -0.588994E-01 -0.180391E+00 0.120462E+00 0.105239E-01 -0.164107E-01 2.000 -0.397076E-01 -0.167732E+00 0.133627E+00 -0.560278E-02 -0.164133E-01 2.100 -0.179614E-01 -0.153566E+00 0.153196E+00 -0.249043E-01 -0.164635E-01 2.200 0.835696E-02 -0.137114E+00 0.182934E+00 -0.499284E-01 -0.165772E-01 2.300 0.432447E-01 -0.117052E+00 0.230864E+00 -0.858350E-01 -0.167820E-01 2.400 0.945194E-01 -0.909203E-01 0.312647E+00 -0.142361E+00 -0.171207E-01 2.500 0.178160E+00 -0.541115E-01 0.462354E+00 -0.240904E+00 -0.176777E-01 2.600 0.329012E+00 0.305927E-02 0.756753E+00 -0.430094E+00 -0.186280E-01 2.700 0.618708E+00 0.101765E+00 0.135205E+01 -0.808724E+00 -0.203461E-01 2.800 0.109579E+01 0.276958E+00 0.226316E+01 -0.136519E+01 -0.234605E-01 2.900 0.120058E+01 0.495697E+00 0.200324E+01 -0.114452E+01 -0.276605E-01 3.000 0.235354E+00 0.581862E+00 -0.377514E-01 -0.114803E+00 -0.302251E-01 3.100 -0.378563E+00 0.510671E+00 -0.970620E+00 0.262592E+00 -0.299843E-01 3.200 -0.380516E+00 0.411243E+00 -0.868987E+00 0.231444E+00 -0.286896E-01 3.300 -0.256983E+00 0.335398E+00 -0.600972E+00 0.140717E+00 -0.274730E-01 3.400 -0.156458E+00 0.284629E+00 -0.394806E+00 0.709191E-01 -0.265650E-01 3.500 -0.902860E-01 0.251528E+00 -0.258472E+00 0.244560E-01 -0.259376E-01 3.600 -0.480079E-01 0.229916E+00 -0.169924E+00 -0.581521E-02 -0.255291E-01 3.700 -0.204701E-01 0.215507E+00 -0.110969E+00 -0.259913E-01 -0.252854E-01 3.800 -0.239558E-02 0.206075E+00 -0.709327E-01 -0.399235E-01 -0.251705E-01 3.900 0.944411E-02 0.199968E+00 -0.434697E-01 -0.496339E-01 -0.251476E-01 4.000 0.171024E-01 0.196114E+00 -0.246237E-01 -0.563310E-01 -0.251964E-01 4.100 0.219311E-01 0.193752E+00 -0.117535E-01 -0.608286E-01 -0.253020E-01 4.200 0.247646E-01 0.192411E+00 -0.310512E-02 -0.637543E-01 -0.254527E-01 4.300 0.263482E-01 0.191736E+00 0.277528E-02 -0.656065E-01 -0.256384E-01 4.400 0.269852E-01 0.191580E+00 0.657511E-02 -0.666717E-01 -0.258513E-01 4.500 0.273619E-01 0.191829E+00 0.990754E-02 -0.678029E-01 -0.260916E-01 4.600 0.279197E-01 0.192510E+00 0.137976E-01 -0.695778E-01 -0.263541E-01 4.700 0.295602E-01 0.193654E+00 0.203375E-01 -0.731830E-01 -0.266417E-01 4.800 0.322086E-01 0.195664E+00 0.297417E-01 -0.790597E-01 -0.269474E-01 4.900 0.366563E-01 0.198883E+00 0.439690E-01 -0.884896E-01 -0.272804E-01 5.000 0.431263E-01 0.203878E+00 0.638944E-01 -0.102319E+00 -0.276366E-01 5.100 0.521703E-01 0.211217E+00 0.906876E-01 -0.121347E+00 -0.280084E-01 5.200 0.636731E-01 0.221593E+00 0.123293E+00 -0.144848E+00 -0.283664E-01 5.300 0.772296E-01 0.235463E+00 0.158320E+00 -0.169945E+00 -0.286534E-01 5.400 0.916104E-01 0.252754E+00 0.188900E+00 -0.190902E+00 -0.287767E-01 5.500 0.104946E+00 0.272587E+00 0.207035E+00 -0.201211E+00 -0.286471E-01 5.600 0.114825E+00 0.293403E+00 0.207971E+00 -0.197933E+00 -0.282182E-01 5.700 0.119417E+00 0.313473E+00 0.193095E+00 -0.183668E+00 -0.275236E-01 5.800 0.118016E+00 0.331423E+00 0.166884E+00 -0.163153E+00 -0.266456E-01 5.900 0.110875E+00 0.346344E+00 0.133394E+00 -0.139924E+00 -0.256620E-01 6.000 0.989595E-01 0.357657E+00 0.952591E-01 -0.115519E+00 -0.246233E-01 6.200 0.656902E-01 0.368261E+00 0.131044E-01 -0.662080E-01 -0.224519E-01 6.400 0.282268E-01 0.362709E+00 -0.644288E-01 -0.206910E-01 -0.201792E-01 6.600 -0.518045E-02 0.343265E+00 -0.124824E+00 0.156240E-01 -0.178324E-01 6.800 -0.298596E-01 0.314085E+00 -0.161954E+00 0.397167E-01 -0.154752E-01 7.000 -0.448665E-01 0.279818E+00 -0.176744E+00 0.519295E-01 -0.131885E-01 7.200 -0.517404E-01 0.244431E+00 -0.174524E+00 0.548862E-01 -0.110441E-01 7.400 -0.529240E-01 0.210670E+00 -0.161711E+00 0.518492E-01 -0.909008E-02 7.600 -0.507138E-01 0.180077E+00 -0.143744E+00 0.456419E-01 -0.734980E-02 7.800 -0.468166E-01 0.153269E+00 -0.124369E+00 0.382527E-01 -0.582627E-02 8.000 -0.423347E-01 0.130290E+00 -0.105790E+00 0.308826E-01 -0.451027E-02 8.250 -0.368194E-01 0.106497E+00 -0.852418E-01 0.226048E-01 -0.313020E-02 8.500 -0.318863E-01 0.874064E-01 -0.681991E-01 0.157466E-01 -0.200756E-02 8.750 -0.276798E-01 0.721524E-01 -0.544810E-01 0.103092E-01 -0.110294E-02 9.000 -0.241601E-01 0.599616E-01 -0.436027E-01 0.611776E-02 -0.380581E-03 9.250 -0.212202E-01 0.501911E-01 -0.350269E-01 0.295459E-02 0.190610E-03 9.500 -0.187412E-01 0.423269E-01 -0.282670E-01 0.614847E-03 0.636987E-03 9.750 -0.166155E-01 0.359666E-01 -0.229180E-01 -0.107530E-02 0.980811E-03 10.000 -0.147549E-01 0.307993E-01 -0.186587E-01 -0.225602E-02 0.124071E-02 10.250 -0.130914E-01 0.265852E-01 -0.152399E-01 -0.303887E-02 0.143231E-02 10.500 -0.115772E-01 0.231393E-01 -0.124725E-01 -0.351218E-02 0.156874E-02 10.600 -0.110062E-01 0.219429E-01 -0.115154E-01 -0.363092E-02 0.161035E-02 10.700 -0.104529E-01 0.208380E-01 -0.106327E-01 -0.371522E-02 0.164552E-02 10.800 -0.991665E-02 0.198179E-01 -0.981773E-02 -0.376890E-02 0.167482E-02 10.900 -0.939745E-02 0.188765E-01 -0.906678E-02 -0.379425E-02 0.169875E-02 11.000 -0.889402E-02 0.180069E-01 -0.837195E-02 -0.379606E-02 0.171780E-02 11.100 -0.840669E-02 0.172041E-01 -0.773035E-02 -0.377618E-02 0.173235E-02 11.200 -0.793822E-02 0.164640E-01 -0.714249E-02 -0.373574E-02 0.174309E-02 11.300 -0.748576E-02 0.157797E-01 -0.659904E-02 -0.367960E-02 0.175008E-02 11.400 -0.705118E-02 0.151476E-01 -0.609967E-02 -0.360898E-02 0.175376E-02 11.500 -0.663507E-02 0.145634E-01 -0.564184E-02 -0.352599E-02 0.175442E-02 11.600 -0.623766E-02 0.140236E-01 -0.522281E-02 -0.343271E-02 0.175218E-02 11.700 -0.586002E-02 0.135234E-01 -0.484112E-02 -0.333065E-02 0.174765E-02 11.800 -0.550218E-02 0.130603E-01 -0.449419E-02 -0.322160E-02 0.174081E-02 11.900 -0.516488E-02 0.126293E-01 -0.418060E-02 -0.310686E-02 0.173209E-02 12.000 -0.484741E-02 0.122277E-01 -0.389707E-02 -0.298828E-02 0.172193E-02 12.250 -0.413920E-02 0.113397E-01 -0.330737E-02 -0.268321E-02 0.168897E-02 12.500 -0.354978E-02 0.105797E-01 -0.286770E-02 -0.237483E-02 0.164959E-02 12.750 -0.306218E-02 0.992224E-02 -0.253461E-02 -0.208400E-02 0.160414E-02 13.000 -0.266066E-02 0.933302E-02 -0.227720E-02 -0.181930E-02 0.155839E-02 13.250 -0.232431E-02 0.880599E-02 -0.206828E-02 -0.158524E-02 0.151338E-02 13.500 -0.205514E-02 0.832962E-02 -0.191632E-02 -0.137283E-02 0.146671E-02 13.750 -0.182946E-02 0.788824E-02 -0.178911E-02 -0.118774E-02 0.142039E-02 14.000 -0.163941E-02 0.747585E-02 -0.167721E-02 -0.103018E-02 0.137581E-02 14.250 -0.147692E-02 0.709255E-02 -0.157948E-02 -0.892883E-03 0.133234E-02 14.500 -0.134076E-02 0.673453E-02 -0.148704E-02 -0.782625E-03 0.129155E-02 14.750 -0.122662E-02 0.640198E-02 -0.140597E-02 -0.688724E-03 0.125380E-02 15.000 -0.113296E-02 0.609271E-02 -0.133596E-02 -0.609358E-03 0.122029E-02 15.250 -0.104923E-02 0.580055E-02 -0.126302E-02 -0.546948E-03 0.118871E-02 15.500 -0.986512E-03 0.552671E-02 -0.120883E-02 -0.490806E-03 0.116346E-02 15.750 -0.928341E-03 0.526983E-02 -0.115445E-02 -0.443114E-03 0.113632E-02 16.000 -0.884887E-03 0.502744E-02 -0.110352E-02 -0.409802E-03 0.111874E-02 16.250 -0.837311E-03 0.479255E-02 -0.104995E-02 -0.377212E-03 0.109705E-02 16.500 -0.807789E-03 0.456883E-02 -0.100753E-02 -0.354071E-03 0.108627E-02 16.750 -0.767995E-03 0.434937E-02 -0.940094E-03 -0.347238E-03 0.107029E-02 17.000 -0.731628E-03 0.415677E-02 -0.882902E-03 -0.337764E-03 0.105714E-02 17.250 -0.701669E-03 0.396639E-02 -0.832037E-03 -0.329507E-03 0.104480E-02 17.500 -0.680460E-03 0.378653E-02 -0.798748E-03 -0.314461E-03 0.103057E-02 18.000 -0.661273E-03 0.346435E-02 -0.738923E-03 -0.307290E-03 0.102488E-02 18.250 -0.647702E-03 0.331592E-02 -0.700273E-03 -0.310822E-03 0.102677E-02 18.500 -0.636977E-03 0.316758E-02 -0.663452E-03 -0.315968E-03 0.103006E-02 18.750 -0.625277E-03 0.303026E-02 -0.629822E-03 -0.318675E-03 0.103589E-02 19.000 -0.619648E-03 0.290861E-02 -0.614169E-03 -0.311775E-03 0.104696E-02 19.250 -0.617383E-03 0.281739E-02 -0.579660E-03 -0.330445E-03 0.106923E-02 19.500 -0.617727E-03 0.276406E-02 -0.553076E-03 -0.348102E-03 0.109766E-02 19.750 -0.620542E-03 0.271381E-02 -0.529400E-03 -0.365990E-03 0.113720E-02 20.000 -0.626499E-03 0.267061E-02 -0.501472E-03 -0.392097E-03 0.118650E-02 S6 - S5 NONADIABATIC COUPLING R A12 B12 DB12/DR A21 G12 1.000 0.122616E+02 0.277455E+00 0.239317E+02 -0.122251E+02 -0.137178E-04 1.010 0.538077E+02 0.705263E+00 0.106198E+03 -0.537873E+02 -0.142788E-04 1.012 0.789899E+02 0.867671E+00 0.156247E+03 -0.789718E+02 -0.142506E-04 1.014 0.132221E+03 0.116109E+01 0.262138E+03 -0.132207E+03 -0.143240E-04 1.016 0.262353E+03 0.171069E+01 0.521331E+03 -0.262345E+03 -0.144050E-04 1.018 0.871206E+03 0.379543E+01 0.173498E+04 -0.871228E+03 -0.154642E-04 1.020 0.690349E+04 0.154635E+02 0.137768E+05 -0.690360E+04 -0.189749E-04 1.022 -0.246462E+08 -0.423786E+04 -0.492841E+08 0.246462E+08 0.120628E-03 1.024 0.943383E+04 -0.195264E+02 0.189055E+05 -0.943352E+04 -0.510033E-05 1.026 0.116288E+04 -0.482046E+01 0.233497E+04 -0.116269E+04 -0.907175E-05 1.028 0.331337E+03 -0.204955E+01 0.666511E+03 -0.331187E+03 -0.105488E-04 1.030 0.135890E+03 -0.110548E+01 0.273796E+03 -0.135759E+03 -0.113286E-04 1.032 0.680440E+02 -0.677109E+00 0.137281E+03 -0.679248E+02 -0.118521E-04 1.034 0.373960E+02 -0.433436E+00 0.755199E+02 -0.372857E+02 -0.122419E-04 1.036 0.226896E+02 -0.294346E+00 0.458429E+02 -0.225850E+02 -0.125542E-04 1.038 0.147581E+02 -0.207499E+00 0.298161E+02 -0.146581E+02 -0.127840E-04 1.040 0.103644E+02 -0.154040E+00 0.209278E+02 -0.102671E+02 -0.129926E-04 1.042 0.756784E+01 -0.116098E+00 0.152635E+02 -0.747281E+01 -0.131684E-04 1.044 0.570733E+01 -0.879073E-01 0.114900E+02 -0.561433E+01 -0.133264E-04 1.046 0.453688E+01 -0.694499E-01 0.911473E+01 -0.444505E+01 -0.134662E-04 1.048 0.389370E+01 -0.596175E-01 0.780978E+01 -0.380228E+01 -0.135770E-04 1.050 0.330092E+01 -0.496254E-01 0.660550E+01 -0.321007E+01 -0.136967E-04 1.060 0.199473E+01 -0.280141E-01 0.395155E+01 -0.190396E+01 -0.142054E-04 1.070 0.145231E+01 -0.185770E-01 0.284764E+01 -0.136060E+01 -0.146847E-04 1.080 0.104656E+01 -0.704003E-02 0.201519E+01 -0.955593E+00 -0.151887E-04 1.090 0.728022E+00 0.577385E-02 0.135636E+01 -0.638935E+00 -0.157566E-04 1.100 0.476589E+00 0.199304E-01 0.831014E+00 -0.390663E+00 -0.164573E-04 1.200 0.125887E+00 0.440436E-01 0.891079E-01 -0.366268E-01 -0.238981E-04 1.300 0.141171E+00 0.465122E-01 0.115283E+00 -0.456687E-01 -0.321004E-04 1.400 0.181851E+01 -0.987210E-02 0.365466E+01 -0.184817E+01 -0.189635E-04 1.500 0.169517E+00 0.680673E-01 0.144308E+00 -0.655478E-01 -0.568096E-04 1.600 0.198475E+00 0.823051E-01 0.185422E+00 -0.898289E-01 -0.750000E-04 1.700 0.234127E+00 0.990903E-01 0.236816E+00 -0.119265E+00 -0.997972E-04 1.800 0.260853E+00 0.120752E+00 0.265183E+00 -0.138499E+00 -0.134072E-03 1.900 0.307988E+00 0.149299E+00 0.328069E+00 -0.177238E+00 -0.182173E-03 2.000 0.378247E+00 0.185686E+00 0.431587E+00 -0.239026E+00 -0.249956E-03 2.100 0.497439E+00 0.231859E+00 0.626092E+00 -0.349471E+00 -0.349332E-03 2.200 0.672086E+00 0.296240E+00 0.922628E+00 -0.519851E+00 -0.503856E-03 2.300 0.941393E+00 0.389200E+00 0.140623E+01 -0.803265E+00 -0.759037E-03 2.400 0.132101E+01 0.535413E+00 0.213612E+01 -0.126129E+01 -0.122760E-02 2.500 0.182109E+01 0.767268E+00 0.326943E+01 -0.206263E+01 -0.215129E-02 2.600 0.211393E+01 0.112605E+01 0.472455E+01 -0.347682E+01 -0.410704E-02 2.700 0.533663E+00 0.158582E+01 0.485736E+01 -0.549838E+01 -0.819947E-02 2.800 -0.392477E+01 0.185939E+01 0.792678E+00 -0.604559E+01 -0.145181E-01 2.900 -0.580180E+01 0.159231E+01 -0.452490E+01 -0.237505E+01 -0.179483E-01 3.000 -0.412211E+01 0.102714E+01 -0.521418E+01 0.407310E+00 -0.147006E-01 3.100 -0.208922E+01 0.595155E+00 -0.316757E+01 0.694383E+00 -0.983334E-02 3.200 -0.999530E+00 0.353884E+00 -0.171555E+01 0.494837E+00 -0.658168E-02 3.300 -0.510360E+00 0.220635E+00 -0.978263E+00 0.334185E+00 -0.468353E-02 3.400 -0.283790E+00 0.141678E+00 -0.605618E+00 0.238488E+00 -0.355505E-02 3.500 -0.169779E+00 0.911623E-01 -0.403927E+00 0.182055E+00 -0.285189E-02 3.600 -0.106671E+00 0.565470E-01 -0.285074E+00 0.146988E+00 -0.239580E-02 3.700 -0.683112E-01 0.312822E-01 -0.208706E+00 0.123486E+00 -0.208434E-02 3.800 -0.427559E-01 0.123109E-01 -0.155429E+00 0.106193E+00 -0.187172E-02 3.900 -0.239261E-01 -0.213965E-02 -0.114768E+00 0.919389E-01 -0.173337E-02 4.000 -0.852595E-02 -0.130834E-01 -0.806517E-01 0.786674E-01 -0.165560E-02 4.100 0.528664E-02 -0.210219E-01 -0.494469E-01 0.649881E-01 -0.163151E-02 4.200 0.184244E-01 -0.261308E-01 -0.191579E-01 0.500256E-01 -0.166212E-02 4.300 0.315178E-01 -0.285081E-01 0.118958E-01 0.328816E-01 -0.174901E-02 4.400 0.446591E-01 -0.279594E-01 0.442678E-01 0.131002E-01 -0.190017E-02 4.500 0.576633E-01 -0.242964E-01 0.780170E-01 -0.955527E-02 -0.212698E-02 4.600 0.704059E-01 -0.172810E-01 0.113448E+00 -0.355284E-01 -0.244266E-02 4.700 0.827640E-01 -0.685520E-02 0.150967E+00 -0.652863E-01 -0.286228E-02 4.800 0.944840E-01 0.753743E-02 0.190773E+00 -0.994293E-01 -0.340074E-02 4.900 0.105315E+00 0.260375E-01 0.233065E+00 -0.138378E+00 -0.407589E-02 5.000 0.114853E+00 0.490553E-01 0.277357E+00 -0.182125E+00 -0.490361E-02 5.100 0.122779E+00 0.766328E-01 0.322415E+00 -0.229688E+00 -0.589281E-02 5.200 0.128736E+00 0.108873E+00 0.364659E+00 -0.277797E+00 -0.702889E-02 5.300 0.132302E+00 0.145193E+00 0.396652E+00 -0.319140E+00 -0.825734E-02 5.400 0.132862E+00 0.184090E+00 0.407171E+00 -0.342490E+00 -0.946295E-02 5.500 0.130253E+00 0.222832E+00 0.388078E+00 -0.338855E+00 -0.104810E-01 5.600 0.124473E+00 0.258392E+00 0.341806E+00 -0.309616E+00 -0.111543E-01 5.700 0.116059E+00 0.288601E+00 0.282191E+00 -0.267396E+00 -0.114112E-01 5.800 0.105769E+00 0.312826E+00 0.223677E+00 -0.225779E+00 -0.112844E-01 5.900 0.939766E-01 0.331640E+00 0.173092E+00 -0.191535E+00 -0.108642E-01 6.000 0.812395E-01 0.345880E+00 0.131231E+00 -0.165285E+00 -0.102493E-01 6.200 0.536570E-01 0.363565E+00 0.643198E-01 -0.127942E+00 -0.872640E-02 6.400 0.250210E-01 0.369389E+00 0.802455E-02 -0.984377E-01 -0.709954E-02 6.600 -0.215959E-02 0.364903E+00 -0.418487E-01 -0.708875E-01 -0.554677E-02 6.800 -0.254772E-01 0.351506E+00 -0.833065E-01 -0.455548E-01 -0.415228E-02 7.000 -0.435210E-01 0.331094E+00 -0.113954E+00 -0.241657E-01 -0.295272E-02 7.200 -0.561546E-01 0.305870E+00 -0.133432E+00 -0.768595E-02 -0.195513E-02 7.400 -0.640799E-01 0.277904E+00 -0.143138E+00 0.394921E-02 -0.114771E-02 7.600 -0.684040E-01 0.248881E+00 -0.145442E+00 0.115425E-01 -0.508469E-03 7.800 -0.702180E-01 0.220006E+00 -0.142750E+00 0.161206E-01 -0.118831E-04 8.000 -0.703981E-01 0.192064E+00 -0.137038E+00 0.186239E-01 0.367355E-03 8.250 -0.692637E-01 0.159102E+00 -0.127767E+00 0.199326E-01 0.710205E-03 8.500 -0.673009E-01 0.128658E+00 -0.117656E+00 0.200825E-01 0.940825E-03 8.750 -0.648885E-01 0.100809E+00 -0.107525E+00 0.195946E-01 0.108735E-02 9.000 -0.621655E-01 0.755011E-01 -0.976375E-01 0.186939E-01 0.117093E-02 9.250 -0.591345E-01 0.526598E-01 -0.879475E-01 0.174271E-01 0.120738E-02 9.500 -0.557498E-01 0.322441E-01 -0.783033E-01 0.157653E-01 0.120844E-02 9.750 -0.519620E-01 0.142513E-01 -0.685464E-01 0.136611E-01 0.118300E-02 10.000 -0.477606E-01 -0.128193E-02 -0.586035E-01 0.110992E-01 0.113781E-02 10.250 -0.431943E-01 -0.143127E-01 -0.485233E-01 0.812182E-02 0.107819E-02 10.500 -0.383741E-01 -0.248272E-01 -0.384789E-01 0.483379E-02 0.100839E-02 10.600 -0.364127E-01 -0.283304E-01 -0.345356E-01 0.346825E-02 0.978409E-03 10.700 -0.344648E-01 -0.314421E-01 -0.306940E-01 0.210620E-02 0.947550E-03 10.800 -0.324955E-01 -0.341730E-01 -0.268794E-01 0.712229E-03 0.916007E-03 10.900 -0.305527E-01 -0.365074E-01 -0.231879E-01 -0.666168E-03 0.883908E-03 11.000 -0.286499E-01 -0.384989E-01 -0.196351E-01 -0.201502E-02 0.851458E-03 11.100 -0.267914E-01 -0.401521E-01 -0.162267E-01 -0.333012E-02 0.818764E-03 11.200 -0.250489E-01 -0.414254E-01 -0.131113E-01 -0.454023E-02 0.785948E-03 11.300 -0.233241E-01 -0.424289E-01 -0.100707E-01 -0.574393E-02 0.753182E-03 11.400 -0.216782E-01 -0.431427E-01 -0.722955E-02 -0.687975E-02 0.720546E-03 11.500 -0.201197E-01 -0.435862E-01 -0.460046E-02 -0.793908E-02 0.688140E-03 11.600 -0.185748E-01 -0.437810E-01 -0.203089E-02 -0.899542E-02 0.655916E-03 11.700 -0.172144E-01 -0.437469E-01 0.142628E-03 -0.987893E-02 0.624212E-03 11.800 -0.159912E-01 -0.434979E-01 0.201653E-02 -0.106352E-01 0.592940E-03 11.900 -0.148555E-01 -0.430837E-01 0.370151E-02 -0.113160E-01 0.562263E-03 12.000 -0.138264E-01 -0.424962E-01 0.515718E-02 -0.119009E-01 0.532132E-03 12.250 -0.116138E-01 -0.403702E-01 0.802464E-02 -0.130474E-01 0.459280E-03 12.500 -0.100908E-01 -0.375181E-01 0.947813E-02 -0.135660E-01 0.390236E-03 12.750 -0.908455E-02 -0.344108E-01 0.994175E-02 -0.136285E-01 0.325783E-03 13.000 -0.831067E-02 -0.314160E-01 0.100389E-01 -0.135164E-01 0.266043E-03 13.250 -0.764091E-02 -0.285754E-01 0.100253E-01 -0.133529E-01 0.210756E-03 13.500 -0.721161E-02 -0.257093E-01 0.959345E-02 -0.129963E-01 0.159107E-03 13.750 -0.689557E-02 -0.230080E-01 0.902175E-02 -0.125706E-01 0.111163E-03 14.000 -0.670923E-02 -0.205267E-01 0.827984E-02 -0.120567E-01 0.666866E-04 14.250 -0.660478E-02 -0.182253E-01 0.745130E-02 -0.114981E-01 0.251924E-04 14.500 -0.654420E-02 -0.162117E-01 0.662297E-02 -0.109310E-01 -0.132468E-04 14.750 -0.651690E-02 -0.143270E-01 0.578835E-02 -0.103626E-01 -0.491812E-04 15.000 -0.639701E-02 -0.126546E-01 0.520623E-02 -0.991610E-02 -0.827787E-04 15.250 -0.628302E-02 -0.111486E-01 0.466983E-02 -0.949083E-02 -0.114186E-03 15.500 -0.618019E-02 -0.979606E-02 0.416308E-02 -0.907927E-02 -0.143681E-03 15.750 -0.606407E-02 -0.856499E-02 0.372858E-02 -0.870512E-02 -0.171337E-03 16.000 -0.593159E-02 -0.746284E-02 0.337060E-02 -0.836942E-02 -0.197237E-03 16.250 -0.581046E-02 -0.646504E-02 0.302782E-02 -0.804249E-02 -0.221601E-03 16.500 -0.573751E-02 -0.552534E-02 0.261914E-02 -0.768705E-02 -0.244532E-03 16.750 -0.557803E-02 -0.460747E-02 0.240812E-02 -0.743612E-02 -0.266256E-03 17.000 -0.540726E-02 -0.374597E-02 0.224739E-02 -0.721403E-02 -0.286695E-03 17.250 -0.528030E-02 -0.295421E-02 0.202622E-02 -0.696399E-02 -0.305879E-03 17.500 -0.515660E-02 -0.222073E-02 0.182384E-02 -0.672662E-02 -0.323896E-03 18.000 -0.492787E-02 -0.813206E-03 0.143769E-02 -0.627520E-02 -0.356764E-03 18.250 -0.479587E-02 -0.961010E-04 0.130116E-02 -0.608517E-02 -0.371851E-03 18.500 -0.464361E-02 0.574287E-03 0.122462E-02 -0.593039E-02 -0.386052E-03 18.750 -0.446369E-02 0.119783E-02 0.122149E-02 -0.581288E-02 -0.399478E-03 19.000 -0.438576E-02 0.177296E-02 0.103172E-02 -0.560369E-02 -0.412137E-03 19.250 -0.430396E-02 0.237432E-02 0.860139E-03 -0.541078E-02 -0.423925E-03 19.500 -0.419672E-02 0.301084E-02 0.748097E-03 -0.525356E-02 -0.434950E-03 19.750 -0.412521E-02 0.357916E-02 0.581720E-03 -0.506925E-02 -0.445337E-03 20.000 -0.402811E-02 0.411375E-02 0.480403E-03 -0.492016E-02 -0.455056E-03 GK - EF NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 0.135375E-01 0.262717E+00 -0.748190E-01 0.883564E-01 0.346470E-01 -0.262717E+00 0.773159E-12 1.010 0.130355E-01 0.261940E+00 -0.765986E-01 0.896341E-01 0.345808E-01 -0.261940E+00 0.160581E-10 1.012 0.129221E-01 0.261785E+00 -0.768591E-01 0.897812E-01 0.345678E-01 -0.261785E+00 0.130761E-10 1.014 0.128185E-01 0.261637E+00 -0.770114E-01 0.898299E-01 0.345547E-01 -0.261637E+00 0.186307E-10 1.016 0.126765E-01 0.261509E+00 -0.764972E-01 0.891737E-01 0.345416E-01 -0.261509E+00 0.647215E-10 1.018 0.125808E-01 0.261359E+00 -0.766652E-01 0.892460E-01 0.345286E-01 -0.261359E+00 0.181295E-11 1.020 0.124774E-01 0.261203E+00 -0.771178E-01 0.895952E-01 0.345155E-01 -0.261203E+00 -0.257910E-11 1.022 0.123862E-01 0.261046E+00 -0.779860E-01 0.903722E-01 0.345024E-01 -0.261046E+00 -0.222020E-10 1.024 0.123004E-01 0.260878E+00 -0.796778E-01 0.919782E-01 0.344894E-01 -0.260878E+00 -0.267110E-11 1.026 0.122206E-01 0.260711E+00 -0.826963E-01 0.949169E-01 0.344762E-01 -0.260711E+00 -0.590616E-10 1.028 0.121526E-01 0.260528E+00 -0.888908E-01 0.101043E+00 0.344630E-01 -0.260528E+00 -0.102020E-10 1.030 0.121101E-01 0.260329E+00 -0.104869E+00 0.116979E+00 0.344493E-01 -0.260329E+00 -0.302241E-10 1.032 0.121497E-01 0.260055E+00 -0.174028E+00 0.186177E+00 0.344340E-01 -0.260055E+00 -0.254557E-11 1.034 0.130245E-01 0.258940E+00 -0.214925E+01 0.216227E+01 0.343810E-01 -0.258940E+00 -0.323355E-10 1.036 -0.288555E-01 0.139573E-01 0.512123E+01 -0.515008E+01 -0.694678E-03 -0.139573E-01 -0.147775E-11 1.038 -0.286954E-01 0.179667E-01 0.832308E+00 -0.861003E+00 -0.167045E-03 -0.179667E-01 -0.262128E-12 1.040 -0.286614E-01 0.189800E-01 0.337022E+00 -0.365683E+00 -0.353203E-04 -0.189800E-01 -0.465774E-13 1.042 -0.286525E-01 0.194576E-01 0.186060E+00 -0.214713E+00 0.256367E-04 -0.194576E-01 -0.290401E-11 1.044 -0.286520E-01 0.197341E-01 0.121620E+00 -0.150272E+00 0.600055E-04 -0.197341E-01 0.492300E-11 1.046 -0.286566E-01 0.199289E-01 0.870867E-01 -0.115743E+00 0.836355E-04 -0.199289E-01 0.669782E-11 1.048 -0.286625E-01 0.200671E-01 0.671721E-01 -0.958347E-01 0.997989E-04 -0.200671E-01 0.421089E-11 1.050 -0.286712E-01 0.201789E-01 0.541529E-01 -0.828241E-01 0.112549E-03 -0.201789E-01 -0.102803E-12 1.060 -0.287289E-01 0.205345E-01 0.277735E-01 -0.565024E-01 0.149754E-03 -0.205345E-01 0.391806E-12 1.070 -0.287999E-01 0.207558E-01 0.199190E-01 -0.487189E-01 0.169524E-03 -0.207558E-01 -0.152240E-11 1.080 -0.288803E-01 0.209308E-01 0.163829E-01 -0.452632E-01 0.183290E-03 -0.209308E-01 -0.142046E-11 1.090 -0.289667E-01 0.210867E-01 0.143150E-01 -0.432816E-01 0.194708E-03 -0.210867E-01 0.630887E-12 1.100 -0.290577E-01 0.212270E-01 0.129855E-01 -0.420431E-01 0.204548E-03 -0.212270E-01 0.639703E-12 1.200 -0.299731E-01 0.222433E-01 0.810110E-02 -0.380742E-01 0.287172E-03 -0.222433E-01 0.406661E-12 1.300 -0.311608E-01 0.228741E-01 0.443601E-02 -0.355968E-01 0.376172E-03 -0.228741E-01 0.201126E-12 1.400 -0.326541E-01 0.230944E-01 0.190958E-03 -0.328772E-01 0.482364E-03 -0.230924E-01 -0.372761E-07 1.500 -0.347358E-01 0.228372E-01 -0.550208E-02 -0.292337E-01 0.611768E-03 -0.228372E-01 -0.310544E-12 1.600 -0.374027E-01 0.219468E-01 -0.126906E-01 -0.247122E-01 0.771953E-03 -0.219468E-01 -0.350520E-10 1.700 -0.409929E-01 0.202240E-01 -0.222590E-01 -0.187339E-01 0.972098E-03 -0.202240E-01 0.732689E-11 1.800 -0.459218E-01 0.173796E-01 -0.353507E-01 -0.105711E-01 0.122509E-02 -0.173796E-01 0.104478E-10 1.900 -0.528298E-01 0.129794E-01 -0.537736E-01 0.943776E-03 0.154966E-02 -0.129794E-01 -0.225073E-11 2.000 -0.627876E-01 0.635331E-02 -0.805753E-01 0.177877E-01 0.197473E-02 -0.635331E-02 -0.206130E-11 2.100 -0.774918E-01 -0.358198E-02 -0.120852E+00 0.433604E-01 0.254210E-02 0.358198E-02 -0.126359E-10 2.200 -0.998942E-01 -0.185661E-01 -0.183729E+00 0.838348E-01 0.332037E-02 0.185661E-01 0.295390E-11 2.300 -0.135307E+00 -0.416305E-01 -0.286370E+00 0.151064E+00 0.442206E-02 0.416305E-01 -0.809436E-11 2.400 -0.193856E+00 -0.782578E-01 -0.462864E+00 0.269008E+00 0.603924E-02 0.782578E-01 0.229646E-11 2.500 -0.295900E+00 -0.138942E+00 -0.784168E+00 0.488268E+00 0.851132E-02 0.138942E+00 -0.226952E-11 2.600 -0.484487E+00 -0.244760E+00 -0.140051E+01 0.916018E+00 0.124394E-01 0.244760E+00 -0.238404E-11 2.700 -0.851289E+00 -0.438301E+00 -0.259827E+01 0.174698E+01 0.187859E-01 0.438301E+00 0.494327E-11 2.800 -0.156481E+01 -0.794981E+00 -0.469384E+01 0.312904E+01 0.284713E-01 0.794981E+00 0.379882E-10 2.900 -0.277648E+01 -0.140115E+01 -0.748503E+01 0.470855E+01 0.406485E-01 0.140115E+01 -0.445993E-11 3.000 -0.408132E+01 -0.228099E+01 -0.985888E+01 0.577756E+01 0.521207E-01 0.228099E+01 0.377135E-11 3.100 -0.334496E+01 -0.323519E+01 -0.797868E+01 0.463372E+01 0.593062E-01 0.323519E+01 -0.133136E-10 3.200 0.128317E+01 -0.359529E+01 0.162388E+01 -0.340706E+00 0.581609E-01 0.359529E+01 -0.127709E-10 3.300 0.472420E+01 -0.300345E+01 0.877175E+01 -0.404755E+01 0.488161E-01 0.300345E+01 -0.463932E-11 3.400 0.438915E+01 -0.210956E+01 0.828238E+01 -0.389323E+01 0.373207E-01 0.210956E+01 0.288205E-11 3.500 0.302737E+01 -0.141170E+01 0.567175E+01 -0.264437E+01 0.277352E-01 0.141170E+01 0.101837E-11 3.600 0.196792E+01 -0.954004E+00 0.362336E+01 -0.165544E+01 0.206356E-01 0.954004E+00 0.120744E-11 3.700 0.129987E+01 -0.661478E+00 0.233321E+01 -0.103334E+01 0.154753E-01 0.661478E+00 0.291738E-11 3.800 0.891191E+00 -0.470652E+00 0.154740E+01 -0.656207E+00 0.116656E-01 0.470652E+00 0.123193E-11 3.900 0.636232E+00 -0.342144E+00 0.106025E+01 -0.424016E+00 0.877678E-02 0.342144E+00 -0.144299E-11 4.000 0.471741E+00 -0.252822E+00 0.748439E+00 -0.276698E+00 0.651946E-02 0.252822E+00 -0.881656E-12 4.100 0.361749E+00 -0.188985E+00 0.541915E+00 -0.180165E+00 0.470116E-02 0.188985E+00 -0.374150E-11 4.200 0.285653E+00 -0.142289E+00 0.400626E+00 -0.114973E+00 0.319313E-02 0.142289E+00 0.117801E-11 4.300 0.231344E+00 -0.107484E+00 0.301111E+00 -0.697675E-01 0.190843E-02 0.107484E+00 -0.684507E-13 4.400 0.191488E+00 -0.811582E-01 0.229208E+00 -0.377204E-01 0.787898E-03 0.811582E-01 -0.423301E-11 4.500 0.161502E+00 -0.610248E-01 0.176107E+00 -0.146046E-01 -0.208787E-03 0.610248E-01 -0.289479E-11 4.600 0.138439E+00 -0.455056E-01 0.136165E+00 0.227305E-02 -0.110887E-02 0.455056E-01 0.704335E-11 4.700 0.120349E+00 -0.334831E-01 0.105673E+00 0.146757E-01 -0.193056E-02 0.334831E-01 0.133500E-10 4.800 0.105913E+00 -0.241450E-01 0.821238E-01 0.237889E-01 -0.268616E-02 0.241450E-01 0.544904E-11 4.900 0.942133E-01 -0.168893E-01 0.637814E-01 0.304319E-01 -0.338357E-02 0.168893E-01 -0.623578E-12 5.000 0.846021E-01 -0.112599E-01 0.494155E-01 0.351865E-01 -0.402810E-02 0.112599E-01 -0.683778E-11 5.100 0.766102E-01 -0.690687E-02 0.381311E-01 0.384791E-01 -0.462316E-02 0.690687E-02 0.194319E-10 5.200 0.698929E-01 -0.355663E-02 0.292640E-01 0.406290E-01 -0.517141E-02 0.355663E-02 0.540552E-11 5.300 0.641926E-01 -0.993721E-03 0.223099E-01 0.418827E-01 -0.567500E-02 0.993721E-03 0.475818E-11 5.400 0.593136E-01 0.952866E-03 0.168789E-01 0.424347E-01 -0.613594E-02 -0.952866E-03 0.247963E-11 5.500 0.551054E-01 0.241953E-02 0.126650E-01 0.424404E-01 -0.655629E-02 -0.241953E-02 -0.655707E-11 5.600 0.514507E-01 0.351539E-02 0.942472E-02 0.420259E-01 -0.693825E-02 -0.351539E-02 -0.236980E-11 5.700 0.482567E-01 0.432763E-02 0.696280E-02 0.412939E-01 -0.728414E-02 -0.432763E-02 0.523075E-11 5.800 0.454498E-01 0.492597E-02 0.512202E-02 0.403277E-01 -0.759645E-02 -0.492597E-02 0.207419E-11 5.900 0.429699E-01 0.536591E-02 0.377414E-02 0.391957E-01 -0.787772E-02 -0.536591E-02 0.590885E-11 6.000 0.407694E-01 0.569147E-02 0.281699E-02 0.379524E-01 -0.813054E-02 -0.569147E-02 0.893127E-11 6.200 0.370547E-01 0.613073E-02 0.175650E-02 0.352982E-01 -0.856103E-02 -0.613073E-02 -0.199402E-10 6.400 0.340646E-01 0.643984E-02 0.144963E-02 0.326150E-01 -0.890757E-02 -0.643984E-02 -0.261169E-10 6.600 0.316319E-01 0.673572E-02 0.158234E-02 0.300496E-01 -0.918800E-02 -0.673572E-02 -0.147398E-10 6.800 0.296386E-01 0.708511E-02 0.195854E-02 0.276800E-01 -0.941788E-02 -0.708511E-02 -0.330427E-11 7.000 0.280000E-01 0.752385E-02 0.246010E-02 0.255399E-01 -0.961043E-02 -0.752385E-02 -0.364510E-10 7.200 0.266552E-01 0.806966E-02 0.301997E-02 0.236353E-01 -0.977672E-02 -0.806966E-02 0.150059E-11 7.400 0.255601E-01 0.873032E-02 0.360404E-02 0.219560E-01 -0.992591E-02 -0.873032E-02 -0.258117E-10 7.600 0.246826E-01 0.950914E-02 0.419943E-02 0.204832E-01 -0.100656E-01 -0.950914E-02 -0.185568E-10 7.800 0.240003E-01 0.104081E-01 0.480592E-02 0.191944E-01 -0.102025E-01 -0.104081E-01 -0.814146E-11 8.000 0.234982E-01 0.114305E-01 0.543415E-02 0.180640E-01 -0.103416E-01 -0.114305E-01 0.753952E-12 8.250 0.231097E-01 0.128907E-01 0.627190E-02 0.168378E-01 -0.105259E-01 -0.128907E-01 0.113288E-10 8.500 0.229802E-01 0.145712E-01 0.720351E-02 0.157767E-01 -0.107293E-01 -0.145712E-01 0.818356E-11 8.750 0.231122E-01 0.165008E-01 0.827440E-02 0.148378E-01 -0.109585E-01 -0.165008E-01 -0.187734E-11 9.000 0.235169E-01 0.187208E-01 0.953729E-02 0.139797E-01 -0.112197E-01 -0.187208E-01 -0.220122E-11 9.250 0.242149E-01 0.212865E-01 0.110533E-01 0.131616E-01 -0.115183E-01 -0.212865E-01 -0.520472E-11 9.500 0.252345E-01 0.242699E-01 0.128930E-01 0.123415E-01 -0.118586E-01 -0.242699E-01 0.250693E-11 9.750 0.266118E-01 0.277617E-01 0.151384E-01 0.114734E-01 -0.122444E-01 -0.277617E-01 -0.971752E-11 10.000 0.283887E-01 0.318747E-01 0.178833E-01 0.105055E-01 -0.126776E-01 -0.318747E-01 0.220250E-11 10.250 0.306105E-01 0.367469E-01 0.212334E-01 0.937709E-02 -0.131585E-01 -0.367469E-01 0.137455E-10 10.500 0.333213E-01 0.425437E-01 0.253045E-01 0.801685E-02 -0.136845E-01 -0.425437E-01 -0.259059E-10 10.600 0.345512E-01 0.451640E-01 0.271617E-01 0.738953E-02 -0.139063E-01 -0.451640E-01 -0.724554E-11 10.700 0.358679E-01 0.479775E-01 0.291622E-01 0.670567E-02 -0.141339E-01 -0.479775E-01 -0.406678E-11 10.800 0.372721E-01 0.509981E-01 0.313127E-01 0.595939E-02 -0.143665E-01 -0.509981E-01 -0.259446E-10 10.900 0.387652E-01 0.542415E-01 0.336210E-01 0.514413E-02 -0.146033E-01 -0.542415E-01 0.161812E-10 11.000 0.403479E-01 0.577238E-01 0.360948E-01 0.425311E-02 -0.148435E-01 -0.577238E-01 -0.381025E-10 11.100 0.420211E-01 0.614626E-01 0.387419E-01 0.327921E-02 -0.150861E-01 -0.614626E-01 -0.158363E-09 11.200 0.437841E-01 0.654756E-01 0.415686E-01 0.221551E-02 -0.153299E-01 -0.654757E-01 -0.885121E-10 11.300 0.456369E-01 0.697803E-01 0.445817E-01 0.105516E-02 -0.155739E-01 -0.697803E-01 -0.123573E-09 11.400 0.475786E-01 0.743962E-01 0.477873E-01 -0.208706E-03 -0.158169E-01 -0.743961E-01 -0.874930E-10 11.500 0.496079E-01 0.793423E-01 0.511902E-01 -0.158226E-02 -0.160577E-01 -0.793423E-01 -0.240946E-09 11.600 0.517239E-01 0.846390E-01 0.547956E-01 -0.307172E-02 -0.162948E-01 -0.846390E-01 -0.295355E-10 11.700 0.539248E-01 0.903070E-01 0.586069E-01 -0.468209E-02 -0.165271E-01 -0.903070E-01 -0.304648E-10 11.800 0.562079E-01 0.963657E-01 0.626251E-01 -0.641714E-02 -0.167531E-01 -0.963657E-01 0.136025E-11 11.900 0.585723E-01 0.102838E+00 0.668523E-01 -0.828010E-02 -0.169721E-01 -0.102838E+00 -0.256954E-09 12.000 0.610140E-01 0.109745E+00 0.712866E-01 -0.102725E-01 -0.171823E-01 -0.109745E+00 -0.188718E-10 12.250 0.674237E-01 0.129038E+00 0.832284E-01 -0.158047E-01 -0.176636E-01 -0.129038E+00 0.380372E-10 12.500 0.741631E-01 0.151476E+00 0.961985E-01 -0.220354E-01 -0.180696E-01 -0.151476E+00 0.900344E-10 12.750 0.809633E-01 0.177229E+00 0.109661E+00 -0.286976E-01 -0.183855E-01 -0.177229E+00 0.728843E-10 13.000 0.872644E-01 0.206301E+00 0.122492E+00 -0.352275E-01 -0.185963E-01 -0.206301E+00 0.145473E-09 13.250 0.922043E-01 0.238500E+00 0.132968E+00 -0.407637E-01 -0.186835E-01 -0.238500E+00 -0.634172E-09 13.500 0.944335E-01 0.272932E+00 0.138401E+00 -0.439676E-01 -0.186240E-01 -0.272932E+00 0.641959E-11 13.750 0.921443E-01 0.307726E+00 0.135209E+00 -0.430645E-01 -0.183922E-01 -0.307726E+00 -0.313337E-10 14.000 0.835263E-01 0.340231E+00 0.119817E+00 -0.362912E-01 -0.179597E-01 -0.340231E+00 0.404050E-09 14.250 0.675255E-01 0.367121E+00 0.901562E-01 -0.226308E-01 -0.173034E-01 -0.367121E+00 -0.223399E-09 14.500 0.446791E-01 0.384552E+00 0.472970E-01 -0.261780E-02 -0.164175E-01 -0.384552E+00 -0.175526E-09 14.750 0.177266E-01 0.389838E+00 -0.333624E-02 0.210629E-01 -0.153185E-01 -0.389838E+00 -0.453198E-10 15.000 -0.909949E-02 0.381923E+00 -0.533973E-01 0.442977E-01 -0.140513E-01 -0.381923E+00 -0.296455E-09 15.250 -0.315137E-01 0.362170E+00 -0.944919E-01 0.629782E-01 -0.126860E-01 -0.362170E+00 -0.381008E-09 15.500 -0.470653E-01 0.333303E+00 -0.121875E+00 0.748100E-01 -0.112895E-01 -0.333303E+00 0.714393E-09 15.750 -0.552712E-01 0.299503E+00 -0.134762E+00 0.794911E-01 -0.993819E-02 -0.299503E+00 -0.117673E-09 16.000 -0.574521E-01 0.263908E+00 -0.135877E+00 0.784246E-01 -0.867252E-02 -0.263908E+00 0.318347E-09 16.250 -0.554165E-01 0.229443E+00 -0.128909E+00 0.734926E-01 -0.752804E-02 -0.229443E+00 0.206667E-09 16.500 -0.509245E-01 0.197607E+00 -0.117402E+00 0.664773E-01 -0.651961E-02 -0.197607E+00 -0.702708E-10 16.750 -0.453688E-01 0.169209E+00 -0.104119E+00 0.587503E-01 -0.564298E-02 -0.169209E+00 -0.643714E-10 17.000 -0.395516E-01 0.144222E+00 -0.906155E-01 0.510639E-01 -0.488178E-02 -0.144222E+00 0.636830E-10 17.250 -0.339988E-01 0.122731E+00 -0.779204E-01 0.439216E-01 -0.422926E-02 -0.122731E+00 -0.569211E-10 17.500 -0.289350E-01 0.104313E+00 -0.664402E-01 0.375052E-01 -0.367021E-02 -0.104313E+00 -0.174498E-10 18.000 -0.205891E-01 0.752296E-01 -0.476170E-01 0.270279E-01 -0.278136E-02 -0.752295E-01 -0.137708E-09 18.250 -0.172824E-01 0.640026E-01 -0.401781E-01 0.228957E-01 -0.243431E-02 -0.640026E-01 0.465627E-10 18.500 -0.144753E-01 0.545795E-01 -0.338691E-01 0.193937E-01 -0.214075E-02 -0.545795E-01 -0.142154E-09 18.750 -0.120896E-01 0.466149E-01 -0.285077E-01 0.164182E-01 -0.189058E-02 -0.466149E-01 -0.897491E-11 19.000 -0.100698E-01 0.398866E-01 -0.239649E-01 0.138949E-01 -0.167620E-02 -0.398867E-01 0.150035E-10 19.250 -0.837211E-02 0.341915E-01 -0.201389E-01 0.117668E-01 -0.149202E-02 -0.341915E-01 -0.349943E-10 19.500 -0.694900E-02 0.293725E-01 -0.169225E-01 0.997351E-02 -0.133311E-02 -0.293724E-01 0.310424E-10 19.750 -0.576105E-02 0.253035E-01 -0.142284E-01 0.846735E-02 -0.119603E-02 -0.253035E-01 0.587041E-10 20.000 -0.477672E-02 0.218846E-01 -0.119870E-01 0.721024E-02 -0.107819E-02 -0.218846E-01 0.161072E-10 H - EF NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 -0.280554E-01 0.206686E-01 0.264777E-01 -0.545331E-01 0.227407E-03 -0.206686E-01 0.245874E-11 1.010 -0.280988E-01 0.209984E-01 0.394282E-01 -0.675268E-01 0.259363E-03 -0.209984E-01 -0.195441E-10 1.012 -0.281759E-01 0.210064E-01 0.406088E-01 -0.687848E-01 0.259612E-03 -0.210064E-01 -0.203672E-11 1.014 -0.282857E-01 0.209860E-01 0.406828E-01 -0.689686E-01 0.256784E-03 -0.209860E-01 0.536927E-12 1.016 -0.284523E-01 0.207956E-01 0.320872E-01 -0.605395E-01 0.232608E-03 -0.207956E-01 0.238195E-10 1.018 -0.285106E-01 0.207920E-01 0.325889E-01 -0.610995E-01 0.231166E-03 -0.207920E-01 -0.923086E-11 1.020 -0.285357E-01 0.208336E-01 0.363773E-01 -0.649130E-01 0.234978E-03 -0.208336E-01 -0.139552E-11 1.022 -0.285397E-01 0.209258E-01 0.454154E-01 -0.739550E-01 0.244877E-03 -0.209258E-01 -0.283064E-11 1.024 -0.285281E-01 0.210878E-01 0.643400E-01 -0.928681E-01 0.263696E-03 -0.210878E-01 -0.671550E-11 1.026 -0.285120E-01 0.213105E-01 0.988950E-01 -0.127407E+00 0.290393E-03 -0.213105E-01 -0.464156E-11 1.028 -0.284999E-01 0.216424E-01 0.170242E+00 -0.198742E+00 0.331647E-03 -0.216424E-01 -0.658070E-11 1.030 -0.284775E-01 0.222066E-01 0.351419E+00 -0.379897E+00 0.403787E-03 -0.222066E-01 -0.166301E-11 1.032 -0.284191E-01 0.235664E-01 0.109205E+01 -0.112047E+01 0.581346E-03 -0.235664E-01 -0.586472E-11 1.034 -0.279959E-01 0.324729E-01 0.165365E+02 -0.165645E+02 0.176001E-02 -0.324729E-01 -0.306107E-11 1.036 0.108826E-01 0.260440E+00 -0.349579E+00 0.360462E+00 0.344063E-01 -0.260440E+00 -0.587342E-11 1.038 0.112355E-01 0.260041E+00 -0.132807E+00 0.144042E+00 0.344001E-01 -0.260041E+00 -0.129523E-10 1.040 0.112410E-01 0.259813E+00 -0.100075E+00 0.111316E+00 0.343878E-01 -0.259813E+00 -0.162230E-10 1.042 0.111931E-01 0.259625E+00 -0.895329E-01 0.100726E+00 0.343751E-01 -0.259625E+00 -0.275774E-10 1.044 0.111229E-01 0.259449E+00 -0.849688E-01 0.960917E-01 0.343623E-01 -0.259449E+00 0.922599E-12 1.046 0.110449E-01 0.259280E+00 -0.825379E-01 0.935828E-01 0.343496E-01 -0.259280E+00 0.734214E-11 1.048 0.109552E-01 0.259112E+00 -0.811800E-01 0.921352E-01 0.343370E-01 -0.259112E+00 0.332361E-11 1.050 0.108780E-01 0.258950E+00 -0.803041E-01 0.911821E-01 0.343243E-01 -0.258950E+00 -0.705130E-11 1.060 0.104296E-01 0.258141E+00 -0.788887E-01 0.893183E-01 0.342614E-01 -0.258141E+00 0.119445E-10 1.070 0.996870E-02 0.257341E+00 -0.788722E-01 0.888409E-01 0.341992E-01 -0.257341E+00 0.100107E-10 1.080 0.949635E-02 0.256542E+00 -0.791970E-01 0.886934E-01 0.341376E-01 -0.256542E+00 -0.500074E-11 1.090 0.902858E-02 0.255738E+00 -0.796196E-01 0.886482E-01 0.340767E-01 -0.255738E+00 -0.802559E-11 1.100 0.857760E-02 0.254932E+00 -0.800649E-01 0.886425E-01 0.340164E-01 -0.254932E+00 -0.135059E-10 1.200 0.452198E-02 0.246623E+00 -0.842579E-01 0.887799E-01 0.334491E-01 -0.246623E+00 0.126745E-11 1.300 0.861034E-03 0.237921E+00 -0.878665E-01 0.887276E-01 0.329448E-01 -0.237921E+00 0.694145E-12 1.400 -0.272354E-02 0.228905E+00 -0.914569E-01 0.887969E-01 0.325006E-01 -0.228909E+00 0.635653E-07 1.500 -0.607141E-02 0.219554E+00 -0.947064E-01 0.886350E-01 0.321186E-01 -0.219554E+00 -0.267956E-11 1.600 -0.963071E-02 0.209851E+00 -0.986526E-01 0.890219E-01 0.317981E-01 -0.209851E+00 0.116796E-09 1.700 -0.134486E-01 0.199717E+00 -0.103429E+00 0.899804E-01 0.315433E-01 -0.199717E+00 0.396277E-12 1.800 -0.177430E-01 0.189047E+00 -0.109546E+00 0.918034E-01 0.313582E-01 -0.189047E+00 -0.125886E-11 1.900 -0.228038E-01 0.177675E+00 -0.117709E+00 0.949054E-01 0.312503E-01 -0.177675E+00 0.489245E-11 2.000 -0.289591E-01 0.165366E+00 -0.128788E+00 0.998287E-01 0.312307E-01 -0.165366E+00 0.159153E-10 2.100 -0.368124E-01 0.151742E+00 -0.144361E+00 0.107549E+00 0.313163E-01 -0.151742E+00 -0.144710E-10 2.200 -0.472627E-01 0.136240E+00 -0.166916E+00 0.119653E+00 0.315335E-01 -0.136240E+00 -0.225989E-11 2.300 -0.618605E-01 0.117963E+00 -0.200870E+00 0.139009E+00 0.319226E-01 -0.117963E+00 0.413502E-11 2.400 -0.833648E-01 0.954055E-01 -0.254398E+00 0.171033E+00 0.325491E-01 -0.954055E-01 -0.184744E-10 2.500 -0.116943E+00 0.659045E-01 -0.343423E+00 0.226479E+00 0.335223E-01 -0.659045E-01 0.577782E-11 2.600 -0.172787E+00 0.244897E-01 -0.500151E+00 0.327364E+00 0.350307E-01 -0.244897E-01 0.139785E-11 2.700 -0.271508E+00 -0.384306E-01 -0.787215E+00 0.515707E+00 0.373935E-01 0.384306E-01 0.314729E-11 2.800 -0.451169E+00 -0.140014E+00 -0.128049E+01 0.829324E+00 0.410397E-01 0.140014E+00 -0.169405E-11 2.900 -0.743777E+00 -0.295818E+00 -0.177964E+01 0.103586E+01 0.459065E-01 0.295818E+00 0.384662E-11 3.000 -0.102600E+01 -0.468568E+00 -0.151081E+01 0.484814E+00 0.503465E-01 0.468568E+00 0.140854E-11 3.100 -0.962261E+00 -0.578165E+00 -0.650828E+00 -0.311433E+00 0.535959E-01 0.578165E+00 -0.169500E-11 3.200 -0.425639E+00 -0.598352E+00 0.226603E+00 -0.652242E+00 0.561511E-01 0.598352E+00 -0.419840E-11 3.300 0.131291E+00 -0.543799E+00 0.783945E+00 -0.652653E+00 0.571663E-01 0.543799E+00 -0.672533E-11 3.400 0.354974E+00 -0.457297E+00 0.887025E+00 -0.532051E+00 0.566044E-01 0.457297E+00 0.468550E-12 3.500 0.363287E+00 -0.373671E+00 0.768974E+00 -0.405687E+00 0.552991E-01 0.373671E+00 -0.306673E-11 3.600 0.305990E+00 -0.304700E+00 0.611777E+00 -0.305787E+00 0.538288E-01 0.304700E+00 -0.459547E-11 3.700 0.243067E+00 -0.250581E+00 0.476035E+00 -0.232968E+00 0.524267E-01 0.250581E+00 0.717835E-11 3.800 0.190187E+00 -0.208481E+00 0.371143E+00 -0.180956E+00 0.511606E-01 0.208481E+00 -0.776314E-11 3.900 0.148955E+00 -0.175492E+00 0.292687E+00 -0.143732E+00 0.500358E-01 0.175492E+00 -0.129048E-11 4.000 0.117506E+00 -0.149294E+00 0.234311E+00 -0.116805E+00 0.490377E-01 0.149294E+00 0.260569E-12 4.100 0.935895E-01 -0.128158E+00 0.190628E+00 -0.970388E-01 0.481459E-01 0.128158E+00 0.202375E-11 4.200 0.753209E-01 -0.110829E+00 0.157593E+00 -0.822719E-01 0.473391E-01 0.110829E+00 0.130131E-11 4.300 0.612675E-01 -0.963966E-01 0.132278E+00 -0.710101E-01 0.465972E-01 0.963966E-01 0.261783E-11 4.400 0.503707E-01 -0.841994E-01 0.112577E+00 -0.622066E-01 0.459017E-01 0.841994E-01 -0.136038E-10 4.500 0.418516E-01 -0.737569E-01 0.969700E-01 -0.551185E-01 0.452358E-01 0.737569E-01 -0.192922E-10 4.600 0.351375E-01 -0.647173E-01 0.843574E-01 -0.492199E-01 0.445845E-01 0.647173E-01 0.124649E-10 4.700 0.298014E-01 -0.568214E-01 0.739408E-01 -0.441394E-01 0.439342E-01 0.568214E-01 0.365013E-10 4.800 0.255243E-01 -0.498829E-01 0.651470E-01 -0.396227E-01 0.432739E-01 0.498829E-01 0.242886E-10 4.900 0.220620E-01 -0.437603E-01 0.575647E-01 -0.355026E-01 0.425939E-01 0.437603E-01 0.381127E-10 5.000 0.192282E-01 -0.383487E-01 0.509096E-01 -0.316814E-01 0.418870E-01 0.383487E-01 0.301025E-11 5.100 0.168809E-01 -0.335625E-01 0.449934E-01 -0.281126E-01 0.411464E-01 0.335625E-01 0.512983E-10 5.200 0.149092E-01 -0.293360E-01 0.396980E-01 -0.247887E-01 0.403684E-01 0.293360E-01 0.100084E-10 5.300 0.132282E-01 -0.256110E-01 0.349579E-01 -0.217297E-01 0.395500E-01 0.256110E-01 0.197930E-11 5.400 0.117725E-01 -0.223335E-01 0.307448E-01 -0.189723E-01 0.386897E-01 0.223335E-01 -0.346699E-11 5.500 0.104924E-01 -0.194513E-01 0.270554E-01 -0.165630E-01 0.377873E-01 0.194513E-01 -0.392739E-11 5.600 0.935070E-02 -0.169114E-01 0.239009E-01 -0.145502E-01 0.368437E-01 0.169114E-01 -0.240345E-11 5.700 0.832026E-02 -0.146596E-01 0.212982E-01 -0.129780E-01 0.358608E-01 0.146596E-01 0.927228E-11 5.800 0.738181E-02 -0.126398E-01 0.192634E-01 -0.118816E-01 0.348417E-01 0.126398E-01 0.818697E-11 5.900 0.652313E-02 -0.107947E-01 0.178064E-01 -0.112833E-01 0.337901E-01 0.107947E-01 0.212011E-10 6.000 0.573579E-02 -0.906648E-02 0.169241E-01 -0.111883E-01 0.327111E-01 0.906648E-02 0.586831E-11 6.200 0.436201E-02 -0.573611E-02 0.168061E-01 -0.124440E-01 0.304934E-01 0.573611E-02 -0.586077E-10 6.400 0.325384E-02 -0.223054E-02 0.186127E-01 -0.153588E-01 0.282387E-01 0.223054E-02 -0.576664E-10 6.600 0.242070E-02 0.179043E-02 0.218790E-01 -0.194583E-01 0.259980E-01 -0.179043E-02 -0.422053E-10 6.800 0.187167E-02 0.656742E-02 0.260944E-01 -0.242228E-01 0.238155E-01 -0.656742E-02 -0.379372E-10 7.000 0.160844E-02 0.122446E-01 0.308214E-01 -0.292130E-01 0.217232E-01 -0.122446E-01 -0.179708E-09 7.200 0.162551E-02 0.188915E-01 0.357588E-01 -0.341333E-01 0.197392E-01 -0.188915E-01 -0.135364E-10 7.400 0.191338E-02 0.265321E-01 0.407473E-01 -0.388339E-01 0.178698E-01 -0.265321E-01 -0.209060E-09 7.600 0.246250E-02 0.351704E-01 0.457396E-01 -0.432771E-01 0.161125E-01 -0.351704E-01 -0.180711E-09 7.800 0.326522E-02 0.448082E-01 0.507599E-01 -0.474947E-01 0.144596E-01 -0.448082E-01 -0.725453E-10 8.000 0.431661E-02 0.554576E-01 0.558724E-01 -0.515557E-01 0.128994E-01 -0.554576E-01 -0.612421E-10 8.250 0.597630E-02 0.702322E-01 0.625085E-01 -0.565322E-01 0.110617E-01 -0.702322E-01 0.224709E-09 8.500 0.801352E-02 0.867114E-01 0.695452E-01 -0.615317E-01 0.932654E-02 -0.867114E-01 0.916847E-10 8.750 0.104102E-01 0.105008E+00 0.770720E-01 -0.666619E-01 0.767162E-02 -0.105008E+00 0.505107E-10 9.000 0.131193E-01 0.125246E+00 0.850899E-01 -0.719706E-01 0.607678E-02 -0.125246E+00 -0.706991E-10 9.250 0.160425E-01 0.147535E+00 0.934665E-01 -0.774241E-01 0.452445E-02 -0.147535E+00 0.103873E-09 9.500 0.189961E-01 0.171929E+00 0.101870E+00 -0.828742E-01 0.300023E-02 -0.171929E+00 0.175982E-09 9.750 0.216737E-01 0.198363E+00 0.109695E+00 -0.880211E-01 0.149341E-02 -0.198363E+00 0.886807E-10 10.000 0.236063E-01 0.226581E+00 0.115980E+00 -0.923734E-01 -0.228895E-05 -0.226581E+00 0.426932E-10 10.250 0.241405E-01 0.256037E+00 0.119365E+00 -0.952246E-01 -0.148735E-02 -0.256037E+00 0.101668E-08 10.500 0.224656E-01 0.285798E+00 0.118146E+00 -0.956807E-01 -0.295518E-02 -0.285798E+00 0.185225E-09 10.600 0.209827E-01 0.297493E+00 0.115957E+00 -0.949739E-01 -0.353439E-02 -0.297493E+00 -0.564503E-09 10.700 0.189583E-01 0.308915E+00 0.112629E+00 -0.936707E-01 -0.410740E-02 -0.308915E+00 -0.167443E-09 10.800 0.163497E-01 0.319942E+00 0.108068E+00 -0.917187E-01 -0.467226E-02 -0.319942E+00 -0.870035E-09 10.900 0.131261E-01 0.330446E+00 0.102206E+00 -0.890799E-01 -0.522733E-02 -0.330446E+00 0.822931E-09 11.000 0.927244E-02 0.340297E+00 0.950011E-01 -0.857287E-01 -0.577059E-02 -0.340297E+00 -0.813933E-09 11.100 0.479066E-02 0.349361E+00 0.864501E-01 -0.816594E-01 -0.630001E-02 -0.349361E+00 -0.374071E-08 11.200 -0.296635E-03 0.357505E+00 0.765938E-01 -0.768905E-01 -0.681350E-02 -0.357505E+00 -0.241939E-08 11.300 -0.593708E-02 0.364601E+00 0.655257E-01 -0.714628E-01 -0.730861E-02 -0.364601E+00 -0.290509E-08 11.400 -0.120610E-01 0.370534E+00 0.533808E-01 -0.654418E-01 -0.778312E-02 -0.370534E+00 -0.230355E-08 11.500 -0.185742E-01 0.375204E+00 0.403434E-01 -0.589176E-01 -0.823470E-02 -0.375204E+00 -0.338947E-08 11.600 -0.253616E-01 0.378534E+00 0.266402E-01 -0.520018E-01 -0.866150E-02 -0.378534E+00 -0.156603E-08 11.700 -0.322957E-01 0.380470E+00 0.125266E-01 -0.448224E-01 -0.906141E-02 -0.380470E+00 -0.917270E-09 11.800 -0.392363E-01 0.380979E+00 -0.171729E-02 -0.375190E-01 -0.943260E-02 -0.380979E+00 -0.243747E-10 11.900 -0.460458E-01 0.380073E+00 -0.158119E-01 -0.302339E-01 -0.977419E-02 -0.380073E+00 -0.634487E-08 12.000 -0.525858E-01 0.377771E+00 -0.294765E-01 -0.231093E-01 -0.100850E-01 -0.377771E+00 0.489053E-09 12.250 -0.669956E-01 0.366350E+00 -0.601873E-01 -0.680821E-02 -0.107259E-01 -0.366350E+00 0.135408E-08 12.500 -0.776257E-01 0.348053E+00 -0.838253E-01 0.619960E-02 -0.111732E-01 -0.348053E+00 0.232891E-08 12.750 -0.839588E-01 0.324877E+00 -0.991940E-01 0.152352E-01 -0.114439E-01 -0.324877E+00 0.207504E-08 13.000 -0.863218E-01 0.298704E+00 -0.106782E+00 0.204602E-01 -0.115527E-01 -0.298704E+00 0.329765E-08 13.250 -0.855235E-01 0.271302E+00 -0.108040E+00 0.225169E-01 -0.115541E-01 -0.271302E+00 -0.149790E-07 13.500 -0.825493E-01 0.244204E+00 -0.104852E+00 0.223022E-01 -0.114758E-01 -0.244204E+00 0.487453E-09 13.750 -0.782103E-01 0.218314E+00 -0.988376E-01 0.206274E-01 -0.113145E-01 -0.218314E+00 0.340461E-09 14.000 -0.731151E-01 0.194102E+00 -0.912631E-01 0.181480E-01 -0.110850E-01 -0.194102E+00 0.981361E-08 14.250 -0.676462E-01 0.171843E+00 -0.829747E-01 0.153285E-01 -0.108038E-01 -0.171843E+00 -0.456231E-08 14.500 -0.619734E-01 0.151653E+00 -0.744870E-01 0.125136E-01 -0.104781E-01 -0.151653E+00 -0.353194E-08 14.750 -0.562064E-01 0.133567E+00 -0.660865E-01 0.988013E-02 -0.101243E-01 -0.133567E+00 -0.238106E-08 15.000 -0.504339E-01 0.117563E+00 -0.579654E-01 0.753139E-02 -0.975673E-02 -0.117563E+00 -0.682518E-08 15.250 -0.448119E-01 0.103628E+00 -0.503222E-01 0.551030E-02 -0.937504E-02 -0.103628E+00 -0.119966E-07 15.500 -0.394423E-01 0.915588E-01 -0.432255E-01 0.378320E-02 -0.900868E-02 -0.915588E-01 0.214384E-07 15.750 -0.345463E-01 0.813025E-01 -0.368984E-01 0.235206E-02 -0.863545E-02 -0.813025E-01 -0.377210E-08 16.000 -0.301791E-01 0.726040E-01 -0.313421E-01 0.116304E-02 -0.829326E-02 -0.726040E-01 0.127310E-07 16.250 -0.264131E-01 0.652957E-01 -0.265752E-01 0.162119E-03 -0.795994E-02 -0.652957E-01 0.420938E-08 16.500 -0.231700E-01 0.591476E-01 -0.225437E-01 -0.626384E-03 -0.766943E-02 -0.591476E-01 -0.170758E-08 16.750 -0.204519E-01 0.539505E-01 -0.191779E-01 -0.127402E-02 -0.736573E-02 -0.539505E-01 -0.199017E-08 17.000 -0.181981E-01 0.495791E-01 -0.163298E-01 -0.186829E-02 -0.709039E-02 -0.495791E-01 0.295922E-08 17.250 -0.163404E-01 0.458717E-01 -0.139464E-01 -0.239398E-02 -0.680636E-02 -0.458717E-01 -0.384963E-08 17.500 -0.148050E-01 0.427179E-01 -0.119359E-01 -0.286910E-02 -0.653822E-02 -0.427179E-01 0.199060E-09 18.000 -0.124691E-01 0.378716E-01 -0.872223E-02 -0.374689E-02 -0.616918E-02 -0.378716E-01 -0.109870E-07 18.250 -0.115842E-01 0.360211E-01 -0.744034E-02 -0.414390E-02 -0.603917E-02 -0.360211E-01 0.374149E-08 18.500 -0.108233E-01 0.344305E-01 -0.634846E-02 -0.447488E-02 -0.593132E-02 -0.344305E-01 -0.128286E-07 18.750 -0.101831E-01 0.331266E-01 -0.539095E-02 -0.479219E-02 -0.586104E-02 -0.331266E-01 -0.201828E-08 19.000 -0.969084E-02 0.321458E-01 -0.451235E-02 -0.517846E-02 -0.581450E-02 -0.321458E-01 0.124231E-08 19.250 -0.930030E-02 0.314502E-01 -0.373472E-02 -0.556559E-02 -0.581494E-02 -0.314502E-01 -0.296333E-08 19.500 -0.904252E-02 0.310837E-01 -0.297367E-02 -0.606887E-02 -0.585049E-02 -0.310836E-01 0.354631E-08 19.750 -0.891679E-02 0.310506E-01 -0.223626E-02 -0.668053E-02 -0.591843E-02 -0.310506E-01 0.111171E-07 20.000 -0.887219E-02 0.312653E-01 -0.152102E-02 -0.735117E-02 -0.602515E-02 -0.312653E-01 0.408727E-08 H - GK NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 -0.293365E+01 -0.126585E+00 -0.594771E+01 0.301406E+01 -0.203886E-04 0.126585E+00 -0.178377E-11 1.010 -0.805680E+01 -0.228039E+00 -0.162030E+02 0.814624E+01 -0.204125E-04 0.228039E+00 0.117949E-10 1.012 -0.913509E+01 -0.238528E+00 -0.183592E+02 0.922412E+01 -0.207848E-04 0.238528E+00 0.120555E-11 1.014 -0.100463E+02 -0.240981E+00 -0.201803E+02 0.101339E+02 -0.213241E-04 0.240981E+00 0.207308E-11 1.016 -0.779582E+01 -0.177584E+00 -0.156706E+02 0.787478E+01 -0.226361E-04 0.177584E+00 -0.119648E-10 1.018 -0.902744E+01 -0.182580E+00 -0.181330E+02 0.910552E+01 -0.230241E-04 0.182580E+00 0.576892E-11 1.020 -0.122617E+02 -0.212369E+00 -0.246023E+02 0.123407E+02 -0.231654E-04 0.212369E+00 0.136690E-11 1.022 -0.196361E+02 -0.282217E+00 -0.393541E+02 0.197180E+02 -0.230393E-04 0.282217E+00 0.197649E-11 1.024 -0.367606E+02 -0.427915E+00 -0.736089E+02 0.368484E+02 -0.226018E-04 0.427915E+00 0.410132E-11 1.026 -0.753985E+02 -0.693805E+00 -0.150893E+03 0.754948E+02 -0.218807E-04 0.693806E+00 0.240237E-11 1.028 -0.178891E+03 -0.124291E+01 -0.357891E+03 0.179000E+03 -0.207240E-04 0.124291E+01 0.399396E-11 1.030 -0.548625E+03 -0.263720E+01 -0.109738E+04 0.548757E+03 -0.185957E-04 0.263720E+01 0.111683E-11 1.032 -0.304374E+04 -0.833922E+01 -0.608766E+04 0.304393E+04 -0.131270E-04 0.833922E+01 0.340606E-11 1.034 -0.178228E+06 -0.127685E+03 -0.356457E+06 0.178228E+06 0.241433E-04 0.127685E+03 0.178145E-11 1.036 -0.298267E+05 0.392471E+02 -0.596531E+05 0.298265E+05 -0.538790E-04 -0.392471E+02 0.912419E-12 1.038 -0.189890E+04 0.633011E+01 -0.379776E+04 0.189885E+04 -0.373761E-04 -0.633011E+01 -0.443884E-12 1.040 -0.468708E+03 0.252558E+01 -0.937407E+03 0.468698E+03 -0.333931E-04 -0.252558E+01 -0.613962E-12 1.042 -0.182297E+03 0.136589E+01 -0.364603E+03 0.182306E+03 -0.316566E-04 -0.136589E+01 0.234680E-11 1.044 -0.902407E+02 0.870986E+00 -0.180501E+03 0.902606E+02 -0.307586E-04 -0.870986E+00 -0.380159E-11 1.046 -0.509148E+02 0.605949E+00 -0.101857E+03 0.509420E+02 -0.302141E-04 -0.605949E+00 -0.472433E-11 1.048 -0.318241E+02 0.453254E+00 -0.636805E+02 0.318563E+02 -0.299082E-04 -0.453254E+00 -0.310165E-11 1.050 -0.211738E+02 0.353574E+00 -0.423836E+02 0.212098E+02 -0.297144E-04 -0.353575E+00 -0.406431E-12 1.060 -0.487428E+01 0.152907E+00 -0.979518E+01 0.492090E+01 -0.296248E-04 -0.152907E+00 -0.180362E-12 1.070 -0.182262E+01 0.947875E-01 -0.369679E+01 0.187417E+01 -0.300936E-04 -0.947875E-01 0.231844E-12 1.080 -0.850251E+00 0.700169E-01 -0.175501E+01 0.904755E+00 -0.307497E-04 -0.700169E-01 0.142044E-13 1.090 -0.434546E+00 0.566381E-01 -0.925743E+00 0.491197E+00 -0.314837E-04 -0.566381E-01 -0.618297E-12 1.100 -0.233987E+00 0.490042E-01 -0.526213E+00 0.292225E+00 -0.323226E-04 -0.490041E-01 -0.510380E-12 1.200 0.451827E-01 0.382237E-01 0.240122E-01 0.211706E-01 -0.440302E-04 -0.382237E-01 -0.230866E-12 1.300 0.662893E-01 0.429274E-01 0.608402E-01 0.544906E-02 -0.593684E-04 -0.429274E-01 -0.340855E-12 1.400 0.753981E-01 0.503618E-01 0.740302E-01 0.141045E-02 -0.793740E-04 -0.503641E-01 0.391270E-07 1.500 0.903251E-01 0.591924E-01 0.987081E-01 -0.838297E-02 -0.104422E-03 -0.591924E-01 0.606422E-13 1.600 0.104944E+00 0.702285E-01 0.122376E+00 -0.174327E-01 -0.137111E-03 -0.702285E-01 0.298294E-10 1.700 0.123073E+00 0.839232E-01 0.152663E+00 -0.295903E-01 -0.179944E-03 -0.839232E-01 -0.358215E-11 1.800 0.146447E+00 0.101109E+00 0.193046E+00 -0.465993E-01 -0.236935E-03 -0.101109E+00 -0.400386E-11 1.900 0.177678E+00 0.123052E+00 0.248946E+00 -0.712680E-01 -0.314432E-03 -0.123052E+00 -0.105977E-11 2.000 0.220542E+00 0.151759E+00 0.328391E+00 -0.107849E+00 -0.423030E-03 -0.151759E+00 0.129657E-11 2.100 0.280360E+00 0.189886E+00 0.443472E+00 -0.163112E+00 -0.578756E-03 -0.189886E+00 0.115702E-10 2.200 0.366599E+00 0.242240E+00 0.616352E+00 -0.249754E+00 -0.811949E-03 -0.242240E+00 -0.813775E-12 2.300 0.493495E+00 0.316220E+00 0.883772E+00 -0.390278E+00 -0.117676E-02 -0.316220E+00 0.641901E-11 2.400 0.682149E+00 0.424197E+00 0.130986E+01 -0.627709E+00 -0.177802E-02 -0.424197E+00 -0.167977E-11 2.500 0.954205E+00 0.586919E+00 0.199979E+01 -0.104559E+01 -0.283000E-02 -0.586919E+00 0.258430E-11 2.600 0.128188E+01 0.837357E+00 0.308175E+01 -0.179987E+01 -0.479027E-02 -0.837357E+00 -0.303042E-12 2.700 0.136362E+01 0.121447E+01 0.446521E+01 -0.310159E+01 -0.861966E-02 -0.121447E+01 -0.250026E-11 2.800 0.186236E+00 0.170158E+01 0.490668E+01 -0.472044E+01 -0.158904E-01 -0.170158E+01 0.575883E-11 2.900 -0.273904E+01 0.206709E+01 0.162159E+01 -0.436063E+01 -0.268212E-01 -0.206709E+01 0.348909E-11 3.000 -0.456084E+01 0.193826E+01 -0.395923E+01 -0.601610E+00 -0.354992E-01 -0.193826E+01 -0.207387E-10 3.100 -0.411452E+01 0.141960E+01 -0.564847E+01 0.153395E+01 -0.353065E-01 -0.141960E+01 0.381387E-10 3.200 -0.298884E+01 0.902695E+00 -0.448436E+01 0.149553E+01 -0.282648E-01 -0.902695E+00 0.318491E-10 3.300 -0.187902E+01 0.534479E+00 -0.291617E+01 0.103714E+01 -0.196434E-01 -0.534479E+00 0.244319E-10 3.400 -0.107964E+01 0.304444E+00 -0.177468E+01 0.695045E+00 -0.127571E-01 -0.304444E+00 -0.309309E-11 3.500 -0.616322E+00 0.163620E+00 -0.110675E+01 0.490433E+00 -0.803845E-02 -0.163620E+00 -0.624099E-12 3.600 -0.364345E+00 0.733151E-01 -0.735299E+00 0.370954E+00 -0.485748E-02 -0.733151E-01 0.136055E-11 3.700 -0.224417E+00 0.113265E-01 -0.523560E+00 0.299143E+00 -0.262935E-02 -0.113265E-01 -0.151547E-11 3.800 -0.142583E+00 -0.341713E-01 -0.396617E+00 0.254034E+00 -0.982460E-03 0.341713E-01 -0.198019E-11 3.900 -0.916441E-01 -0.695112E-01 -0.315802E+00 0.224158E+00 0.299839E-03 0.695112E-01 0.115770E-11 4.000 -0.576923E-01 -0.981797E-01 -0.260718E+00 0.203025E+00 0.134219E-02 0.981797E-01 -0.146524E-11 4.100 -0.333431E-01 -0.122135E+00 -0.220131E+00 0.186788E+00 0.221574E-02 0.122135E+00 -0.120962E-12 4.200 -0.145294E-01 -0.142477E+00 -0.187601E+00 0.173072E+00 0.295985E-02 0.142477E+00 -0.124966E-11 4.300 0.103790E-02 -0.159804E+00 -0.159347E+00 0.160385E+00 0.359440E-02 0.159804E+00 -0.103970E-11 4.400 0.146395E-01 -0.174425E+00 -0.133172E+00 0.147811E+00 0.412692E-02 0.174425E+00 0.250066E-11 4.500 0.269530E-01 -0.186480E+00 -0.107890E+00 0.134843E+00 0.455753E-02 0.186480E+00 -0.133573E-11 4.600 0.382791E-01 -0.196030E+00 -0.830021E-01 0.121281E+00 0.488192E-02 0.196030E+00 -0.120264E-10 4.700 0.486889E-01 -0.203108E+00 -0.584698E-01 0.107159E+00 0.509409E-02 0.203108E+00 -0.173369E-10 4.800 0.581120E-01 -0.207763E+00 -0.345803E-01 0.926923E-01 0.518783E-02 0.207763E+00 -0.102651E-10 4.900 0.664200E-01 -0.210080E+00 -0.117792E-01 0.781992E-01 0.515843E-02 0.210080E+00 -0.222484E-10 5.000 0.734728E-01 -0.210192E+00 0.941780E-02 0.640550E-01 0.500344E-02 0.210192E+00 -0.148382E-10 5.100 0.791698E-01 -0.208284E+00 0.285493E-01 0.506205E-01 0.472354E-02 0.208284E+00 -0.415265E-11 5.200 0.834537E-01 -0.204583E+00 0.452262E-01 0.382275E-01 0.432240E-02 0.204583E+00 -0.377693E-12 5.300 0.863340E-01 -0.199347E+00 0.592014E-01 0.271326E-01 0.380691E-02 0.199347E+00 0.730561E-12 5.400 0.878810E-01 -0.192853E+00 0.703711E-01 0.175099E-01 0.318673E-02 0.192853E+00 0.808905E-12 5.500 0.882169E-01 -0.185381E+00 0.787691E-01 0.944777E-02 0.247400E-02 0.185381E+00 0.159436E-11 5.600 0.875011E-01 -0.177202E+00 0.845419E-01 0.295927E-02 0.168263E-02 0.177202E+00 -0.209852E-13 5.700 0.859150E-01 -0.168566E+00 0.879218E-01 -0.200685E-02 0.827815E-03 0.168566E+00 -0.141950E-11 5.800 0.836463E-01 -0.159699E+00 0.891966E-01 -0.555029E-02 -0.745760E-04 0.159699E+00 -0.220992E-11 5.900 0.808774E-01 -0.150797E+00 0.886823E-01 -0.780490E-02 -0.100872E-02 0.150797E+00 -0.374266E-11 6.000 0.777763E-01 -0.142021E+00 0.867046E-01 -0.892831E-02 -0.195911E-02 0.142021E+00 -0.265511E-11 6.200 0.711405E-01 -0.125340E+00 0.795980E-01 -0.845743E-02 -0.385268E-02 0.125340E+00 0.137489E-10 6.400 0.646205E-01 -0.110351E+00 0.701058E-01 -0.548533E-02 -0.565941E-02 0.110351E+00 0.144503E-10 6.600 0.587219E-01 -0.973495E-01 0.599398E-01 -0.121792E-02 -0.731377E-02 0.973495E-01 0.938993E-11 6.800 0.536510E-01 -0.863484E-01 0.502379E-01 0.341308E-02 -0.878127E-02 0.863484E-01 0.805287E-11 7.000 0.494165E-01 -0.771854E-01 0.416175E-01 0.779896E-02 -0.100527E-01 0.771854E-01 0.291053E-10 7.200 0.459225E-01 -0.696168E-01 0.342996E-01 0.116229E-01 -0.111355E-01 0.696168E-01 -0.207608E-11 7.400 0.430344E-01 -0.633823E-01 0.282534E-01 0.147810E-01 -0.120463E-01 0.633823E-01 0.251554E-10 7.600 0.406170E-01 -0.582421E-01 0.233200E-01 0.172970E-01 -0.128043E-01 0.582421E-01 0.171721E-10 7.800 0.385523E-01 -0.539934E-01 0.192991E-01 0.192532E-01 -0.134286E-01 0.539934E-01 0.517556E-11 8.000 0.367446E-01 -0.504743E-01 0.159943E-01 0.207503E-01 -0.139369E-01 0.504743E-01 0.219755E-11 8.250 0.347347E-01 -0.469123E-01 0.126175E-01 0.221172E-01 -0.144308E-01 0.469123E-01 -0.783345E-11 8.500 0.329027E-01 -0.441146E-01 0.984017E-02 0.230625E-01 -0.147889E-01 0.441146E-01 -0.903991E-11 8.750 0.311711E-01 -0.419563E-01 0.747442E-02 0.236967E-01 -0.150289E-01 0.419563E-01 0.139084E-11 9.000 0.294832E-01 -0.403520E-01 0.538910E-02 0.240941E-01 -0.151640E-01 0.403520E-01 0.311696E-11 9.250 0.277962E-01 -0.392432E-01 0.349629E-02 0.242999E-01 -0.152031E-01 0.392432E-01 0.730987E-11 9.500 0.260761E-01 -0.385894E-01 0.174134E-02 0.243348E-01 -0.151519E-01 0.385894E-01 -0.272740E-11 9.750 0.242957E-01 -0.383600E-01 0.962160E-04 0.241995E-01 -0.150132E-01 0.383600E-01 0.128960E-10 10.000 0.224329E-01 -0.385286E-01 -0.144445E-02 0.238774E-01 -0.147874E-01 0.385286E-01 -0.207133E-12 10.250 0.204711E-01 -0.390677E-01 -0.286644E-02 0.233375E-01 -0.144732E-01 0.390677E-01 -0.266851E-10 10.500 0.184006E-01 -0.399443E-01 -0.413975E-02 0.225403E-01 -0.140684E-01 0.399443E-01 0.337588E-10 10.600 0.175413E-01 -0.403803E-01 -0.459870E-02 0.221400E-01 -0.138806E-01 0.403803E-01 0.284653E-10 10.700 0.166645E-01 -0.408607E-01 -0.502519E-02 0.216897E-01 -0.136780E-01 0.408607E-01 0.672687E-11 10.800 0.157713E-01 -0.413819E-01 -0.541630E-02 0.211876E-01 -0.134605E-01 0.413819E-01 0.511390E-10 10.900 0.148625E-01 -0.419403E-01 -0.576986E-02 0.206324E-01 -0.132282E-01 0.419403E-01 -0.275990E-10 11.000 0.139394E-01 -0.425319E-01 -0.608428E-02 0.200237E-01 -0.129814E-01 0.425319E-01 0.701717E-10 11.100 0.130035E-01 -0.431531E-01 -0.635852E-02 0.193620E-01 -0.127202E-01 0.431531E-01 0.254780E-09 11.200 0.120576E-01 -0.438000E-01 -0.659140E-02 0.186490E-01 -0.124454E-01 0.438000E-01 0.159949E-09 11.300 0.111027E-01 -0.444679E-01 -0.678444E-02 0.178872E-01 -0.121570E-01 0.444679E-01 0.207814E-09 11.400 0.101420E-01 -0.451530E-01 -0.693841E-02 0.170804E-01 -0.118558E-01 0.451530E-01 0.174670E-09 11.500 0.917840E-02 -0.458514E-01 -0.705535E-02 0.162337E-01 -0.115426E-01 0.458514E-01 0.448852E-09 11.600 0.821488E-02 -0.465597E-01 -0.713840E-02 0.153533E-01 -0.112184E-01 0.465597E-01 0.714568E-10 11.700 0.725470E-02 -0.472748E-01 -0.719129E-02 0.144460E-01 -0.108842E-01 0.472748E-01 0.489394E-10 11.800 0.630169E-02 -0.479931E-01 -0.721835E-02 0.135200E-01 -0.105412E-01 0.479931E-01 0.489780E-11 11.900 0.535838E-02 -0.487136E-01 -0.722421E-02 0.125826E-01 -0.101899E-01 0.487136E-01 0.527654E-09 12.000 0.442953E-02 -0.494338E-01 -0.721367E-02 0.116432E-01 -0.983252E-02 0.494338E-01 0.204959E-10 12.250 0.219165E-02 -0.512246E-01 -0.714794E-02 0.933959E-02 -0.891812E-02 0.512246E-01 -0.149338E-09 12.500 0.119371E-03 -0.529979E-01 -0.707113E-02 0.719050E-02 -0.798646E-02 0.529979E-01 -0.325112E-09 12.750 -0.173056E-02 -0.547517E-01 -0.702024E-02 0.528968E-02 -0.705346E-02 0.547517E-01 -0.304755E-09 13.000 -0.327665E-02 -0.564780E-01 -0.696591E-02 0.368926E-02 -0.613010E-02 0.564780E-01 -0.508310E-09 13.250 -0.443308E-02 -0.581957E-01 -0.685236E-02 0.241928E-02 -0.522591E-02 0.581957E-01 0.279196E-08 13.500 -0.510407E-02 -0.598958E-01 -0.657849E-02 0.147442E-02 -0.434708E-02 0.598958E-01 -0.154869E-09 13.750 -0.517655E-02 -0.614915E-01 -0.600613E-02 0.829586E-03 -0.349144E-02 0.614915E-01 -0.106993E-09 14.000 -0.453677E-02 -0.628855E-01 -0.500496E-02 0.468191E-03 -0.266429E-02 0.628855E-01 -0.256358E-08 14.250 -0.313575E-02 -0.639716E-01 -0.350506E-02 0.369312E-03 -0.186813E-02 0.639716E-01 0.154770E-08 14.500 -0.100738E-02 -0.645950E-01 -0.151078E-02 0.503397E-03 -0.111950E-02 0.645950E-01 0.158608E-08 14.750 0.166431E-02 -0.646675E-01 0.824629E-03 0.839677E-03 -0.425830E-03 0.646675E-01 0.929166E-09 15.000 0.459792E-02 -0.641333E-01 0.325983E-02 0.133809E-02 0.201268E-03 0.641333E-01 0.364543E-08 15.250 0.745007E-02 -0.630149E-01 0.550770E-02 0.194238E-02 0.751231E-03 0.630149E-01 0.609212E-08 15.500 0.999134E-02 -0.613838E-01 0.734819E-02 0.264315E-02 0.121393E-02 0.613838E-01 -0.133786E-07 15.750 0.120084E-01 -0.593847E-01 0.866518E-02 0.334327E-02 0.160205E-02 0.593847E-01 0.265200E-08 16.000 0.135014E-01 -0.571547E-01 0.945560E-02 0.404577E-02 0.191958E-02 0.571547E-01 -0.845160E-08 16.250 0.144832E-01 -0.548201E-01 0.977376E-02 0.470940E-02 0.218211E-02 0.548201E-01 -0.318021E-08 16.500 0.150505E-01 -0.524557E-01 0.972868E-02 0.532182E-02 0.236933E-02 0.524557E-01 0.156953E-08 16.750 0.153004E-01 -0.501261E-01 0.944323E-02 0.585717E-02 0.249098E-02 0.501261E-01 0.205359E-08 17.000 0.153412E-01 -0.479432E-01 0.896391E-02 0.637727E-02 0.259049E-02 0.479432E-01 -0.268561E-08 17.250 0.152320E-01 -0.458851E-01 0.838433E-02 0.684770E-02 0.264153E-02 0.458851E-01 0.384534E-08 17.500 0.150219E-01 -0.439809E-01 0.775123E-02 0.727068E-02 0.267756E-02 0.439809E-01 0.104578E-09 18.000 0.145488E-01 -0.408425E-01 0.634496E-02 0.820383E-02 0.271779E-02 0.408425E-01 0.100658E-07 18.250 0.143045E-01 -0.395677E-01 0.563566E-02 0.866887E-02 0.272848E-02 0.395677E-01 -0.393974E-08 18.500 0.140377E-01 -0.384185E-01 0.497132E-02 0.906633E-02 0.273839E-02 0.384185E-01 0.125787E-07 18.750 0.137935E-01 -0.374740E-01 0.432714E-02 0.946635E-02 0.275941E-02 0.374740E-01 0.198251E-08 19.000 0.136274E-01 -0.368097E-01 0.366784E-02 0.995941E-02 0.278481E-02 0.368097E-01 -0.984644E-09 19.250 0.135405E-01 -0.364086E-01 0.304429E-02 0.104962E-01 0.281375E-02 0.364086E-01 0.267328E-08 19.500 0.135652E-01 -0.363425E-01 0.236918E-02 0.111961E-01 0.285726E-02 0.363425E-01 -0.323506E-08 19.750 0.137211E-01 -0.366353E-01 0.166634E-02 0.120548E-01 0.290997E-02 0.366353E-01 -0.117191E-07 20.000 0.139692E-01 -0.371889E-01 0.948136E-03 0.130211E-01 0.296976E-02 0.371889E-01 -0.370358E-08 S5 - EF NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 0.960497E-03 0.126984E+00 -0.335975E-01 0.345579E-01 0.203875E-01 -0.126984E+00 -0.471800E-11 1.010 0.734445E-03 0.126633E+00 -0.323706E-01 0.331050E-01 0.203491E-01 -0.126633E+00 0.152195E-10 1.012 0.682952E-03 0.126561E+00 -0.318527E-01 0.325356E-01 0.203416E-01 -0.126561E+00 0.140378E-10 1.014 0.640554E-03 0.126491E+00 -0.308406E-01 0.314812E-01 0.203339E-01 -0.126491E+00 0.156653E-10 1.016 0.562089E-03 0.126427E+00 -0.289955E-01 0.295577E-01 0.203262E-01 -0.126427E+00 0.277848E-10 1.018 0.490103E-03 0.126374E+00 -0.220395E-01 0.225296E-01 0.203185E-01 -0.126374E+00 -0.111387E-10 1.020 0.319468E-03 0.126358E+00 0.997000E-02 -0.964969E-02 0.203096E-01 -0.126358E+00 0.430500E-11 1.022 -0.390357E-02 0.122460E+00 -0.665735E+02 0.665694E+02 0.193397E-01 -0.122460E+00 -0.194244E-10 1.024 -0.142473E-01 0.106220E-01 -0.123014E+01 0.121590E+01 0.524777E-03 -0.106220E-01 0.902944E-12 1.026 -0.142638E-01 0.934785E-02 -0.304168E+00 0.289904E+00 0.320647E-03 -0.934785E-02 -0.742181E-11 1.028 -0.143184E-01 0.890234E-02 -0.129666E+00 0.115348E+00 0.249561E-03 -0.890234E-02 0.754713E-12 1.030 -0.143351E-01 0.868114E-02 -0.702118E-01 0.558768E-01 0.214724E-03 -0.868114E-02 -0.979931E-11 1.032 -0.143610E-01 0.855077E-02 -0.432846E-01 0.289236E-01 0.194586E-03 -0.855077E-02 -0.370176E-11 1.034 -0.143913E-01 0.845342E-02 -0.280163E-01 0.136251E-01 0.179277E-03 -0.845342E-02 0.158298E-10 1.036 -0.144130E-01 0.838811E-02 -0.193251E-01 0.491217E-02 0.169367E-03 -0.838811E-02 0.253189E-10 1.038 -0.144360E-01 0.833894E-02 -0.139298E-01 -0.506235E-03 0.161860E-03 -0.833894E-02 -0.769358E-12 1.040 -0.144593E-01 0.830829E-02 -0.106371E-01 -0.382217E-02 0.157570E-03 -0.830829E-02 -0.588239E-11 1.042 -0.144743E-01 0.828317E-02 -0.830731E-02 -0.616698E-02 0.154066E-03 -0.828317E-02 -0.349125E-10 1.044 -0.144983E-01 0.826165E-02 -0.661303E-02 -0.788525E-02 0.151076E-03 -0.826165E-02 -0.983666E-11 1.046 -0.145129E-01 0.824850E-02 -0.551102E-02 -0.900188E-02 0.149541E-03 -0.824850E-02 -0.142494E-10 1.048 -0.145459E-01 0.824420E-02 -0.499071E-02 -0.955516E-02 0.149477E-03 -0.824420E-02 -0.184256E-10 1.050 -0.145645E-01 0.823784E-02 -0.443124E-02 -0.101333E-01 0.149144E-03 -0.823784E-02 -0.704592E-11 1.060 -0.146569E-01 0.823656E-02 -0.340999E-02 -0.112469E-01 0.152496E-03 -0.823656E-02 0.388151E-12 1.070 -0.147123E-01 0.824396E-02 -0.308276E-02 -0.116295E-01 0.157973E-03 -0.824396E-02 -0.559023E-11 1.080 -0.147360E-01 0.823315E-02 -0.255627E-02 -0.121797E-01 0.160136E-03 -0.823315E-02 0.473767E-11 1.090 -0.147203E-01 0.820659E-02 -0.185442E-02 -0.128658E-01 0.159856E-03 -0.820659E-02 0.427669E-12 1.100 -0.147104E-01 0.816243E-02 -0.106973E-02 -0.136407E-01 0.156832E-03 -0.816243E-02 0.463620E-11 1.200 -0.150101E-01 0.807631E-02 -0.186721E-02 -0.131429E-01 0.203321E-03 -0.807631E-02 0.171462E-11 1.300 -0.154634E-01 0.779053E-02 -0.439921E-02 -0.110642E-01 0.267588E-03 -0.779053E-02 -0.217418E-12 1.400 -0.172457E-01 0.740861E-02 -0.144402E-01 -0.639115E-03 0.346952E-03 -0.748154E-02 0.725339E-06 1.500 -0.171928E-01 0.631586E-02 -0.109102E-01 -0.628255E-02 0.425091E-03 -0.631586E-02 -0.314405E-11 1.600 -0.184175E-01 0.499630E-02 -0.153150E-01 -0.310246E-02 0.531596E-03 -0.499631E-02 0.373072E-09 1.700 -0.201464E-01 0.317413E-02 -0.213192E-01 0.117279E-02 0.672929E-03 -0.317413E-02 0.945910E-12 1.800 -0.225300E-01 0.667178E-03 -0.293938E-01 0.686380E-02 0.860057E-03 -0.667178E-03 -0.221224E-10 1.900 -0.260017E-01 -0.277964E-02 -0.408959E-01 0.148942E-01 0.110694E-02 0.277964E-02 0.841443E-10 2.000 -0.310181E-01 -0.767043E-02 -0.576104E-01 0.265923E-01 0.144066E-02 0.767043E-02 -0.499788E-10 2.100 -0.387177E-01 -0.146523E-01 -0.834446E-01 0.447269E-01 0.191032E-02 0.146523E-01 -0.627445E-10 2.200 -0.509280E-01 -0.249696E-01 -0.125202E+00 0.742736E-01 0.258480E-02 0.249696E-01 -0.176019E-10 2.300 -0.709740E-01 -0.408606E-01 -0.196650E+00 0.125676E+00 0.358202E-02 0.408606E-01 0.486066E-10 2.400 -0.105844E+00 -0.666632E-01 -0.328058E+00 0.222214E+00 0.512205E-02 0.666632E-01 0.323073E-10 2.500 -0.170806E+00 -0.111387E+00 -0.587311E+00 0.416506E+00 0.762570E-02 0.111388E+00 -0.582282E-10 2.600 -0.299705E+00 -0.193800E+00 -0.110335E+01 0.803641E+00 0.117999E-01 0.193800E+00 0.780313E-12 2.700 -0.551478E+00 -0.342503E+00 -0.185621E+01 0.130473E+01 0.180498E-01 0.342503E+00 0.250873E-10 2.800 -0.918620E+00 -0.539827E+00 -0.182652E+01 0.907896E+00 0.231072E-01 0.539827E+00 0.875848E-10 2.900 -0.116596E+01 -0.660295E+00 -0.455428E+00 -0.710529E+00 0.204876E-01 0.660295E+00 0.585938E-11 3.000 -0.107846E+01 -0.640080E+00 0.698313E+00 -0.177677E+01 0.117296E-01 0.640080E+00 0.366319E-11 3.100 -0.691765E+00 -0.552501E+00 0.965880E+00 -0.165765E+01 0.440563E-02 0.552501E+00 -0.937874E-11 3.200 -0.167239E+00 -0.452972E+00 0.101843E+01 -0.118567E+01 0.909801E-03 0.452972E+00 -0.936538E-11 3.300 0.188819E+00 -0.352663E+00 0.959971E+00 -0.771152E+00 -0.434028E-03 0.352663E+00 -0.998954E-11 3.400 0.282971E+00 -0.265740E+00 0.767065E+00 -0.484095E+00 -0.112068E-02 0.265740E+00 0.959005E-12 3.500 0.257269E+00 -0.199630E+00 0.560876E+00 -0.303607E+00 -0.166081E-02 0.199630E+00 -0.174893E-12 3.600 0.207555E+00 -0.152029E+00 0.399812E+00 -0.192257E+00 -0.214226E-02 0.152029E+00 -0.608309E-12 3.700 0.163036E+00 -0.118123E+00 0.285282E+00 -0.122247E+00 -0.257460E-02 0.118123E+00 -0.415095E-11 3.800 0.128403E+00 -0.938458E-01 0.205167E+00 -0.767643E-01 -0.296590E-02 0.938458E-01 -0.635265E-12 3.900 0.102324E+00 -0.763301E-01 0.148495E+00 -0.461702E-01 -0.332828E-02 0.763301E-01 -0.207480E-11 4.000 0.826613E-01 -0.636419E-01 0.107577E+00 -0.249154E-01 -0.367445E-02 0.636419E-01 -0.139855E-11 4.100 0.676318E-01 -0.544771E-01 0.773661E-01 -0.973426E-02 -0.401556E-02 0.544771E-01 -0.323528E-11 4.200 0.559361E-01 -0.479405E-01 0.545859E-01 0.135022E-02 -0.436093E-02 0.479405E-01 0.100948E-11 4.300 0.466612E-01 -0.434030E-01 0.370960E-01 0.956522E-02 -0.471780E-02 0.434030E-01 0.100217E-11 4.400 0.391692E-01 -0.404115E-01 0.234746E-01 0.156946E-01 -0.509152E-02 0.404115E-01 0.537082E-11 4.500 0.330134E-01 -0.386298E-01 0.127670E-01 0.202464E-01 -0.548582E-02 0.386298E-01 0.256258E-10 4.600 0.278758E-01 -0.378014E-01 0.431061E-02 0.235652E-01 -0.590327E-02 0.378014E-01 0.364411E-10 4.700 0.235290E-01 -0.377258E-01 -0.235495E-02 0.258840E-01 -0.634518E-02 0.377258E-01 0.316319E-10 4.800 0.198035E-01 -0.382429E-01 -0.758266E-02 0.273862E-01 -0.681254E-02 0.382429E-01 0.168106E-10 4.900 0.165764E-01 -0.392214E-01 -0.116235E-01 0.281999E-01 -0.730529E-02 0.392214E-01 0.366641E-10 5.000 0.137532E-01 -0.405530E-01 -0.146815E-01 0.284347E-01 -0.782313E-02 0.405530E-01 0.364927E-10 5.100 0.112644E-01 -0.421472E-01 -0.169097E-01 0.281742E-01 -0.836491E-02 0.421472E-01 0.853839E-10 5.200 0.905350E-02 -0.439285E-01 -0.184445E-01 0.274980E-01 -0.892908E-02 0.439285E-01 -0.338276E-12 5.300 0.707679E-02 -0.458332E-01 -0.193955E-01 0.264723E-01 -0.951344E-02 0.458332E-01 0.547148E-11 5.400 0.529995E-02 -0.478073E-01 -0.198563E-01 0.251562E-01 -0.101154E-01 0.478073E-01 0.229561E-11 5.500 0.369570E-02 -0.498060E-01 -0.199030E-01 0.235987E-01 -0.107312E-01 0.498060E-01 0.414170E-10 5.600 0.224231E-02 -0.517910E-01 -0.196016E-01 0.218439E-01 -0.113568E-01 0.517910E-01 -0.432205E-11 5.700 0.922606E-03 -0.537303E-01 -0.190072E-01 0.199298E-01 -0.119874E-01 0.537303E-01 0.120475E-10 5.800 -0.276774E-03 -0.555969E-01 -0.181664E-01 0.178896E-01 -0.126176E-01 0.555969E-01 -0.287449E-11 5.900 -0.136714E-02 -0.573680E-01 -0.171217E-01 0.157545E-01 -0.132415E-01 0.573680E-01 0.740783E-11 6.000 -0.235639E-02 -0.590255E-01 -0.159083E-01 0.135519E-01 -0.138528E-01 0.590255E-01 0.346868E-11 6.200 -0.405757E-02 -0.619419E-01 -0.131126E-01 0.905508E-02 -0.150137E-01 0.619419E-01 0.368309E-11 6.400 -0.542159E-02 -0.642649E-01 -0.100344E-01 0.461282E-02 -0.160550E-01 0.642649E-01 0.239079E-10 6.600 -0.648115E-02 -0.659617E-01 -0.690472E-02 0.423565E-03 -0.169419E-01 0.659617E-01 0.360471E-11 6.800 -0.726809E-02 -0.670428E-01 -0.391644E-02 -0.335165E-02 -0.176551E-01 0.670428E-01 -0.892452E-11 7.000 -0.781634E-02 -0.675514E-01 -0.120775E-02 -0.660859E-02 -0.181916E-01 0.675514E-01 -0.497521E-10 7.200 -0.816170E-02 -0.675525E-01 0.114350E-02 -0.930520E-02 -0.185623E-01 0.675525E-01 -0.261378E-11 7.400 -0.834009E-02 -0.671210E-01 0.311223E-02 -0.114523E-01 -0.187872E-01 0.671210E-01 -0.755074E-10 7.600 -0.838550E-02 -0.663330E-01 0.470958E-02 -0.130951E-01 -0.188914E-01 0.663330E-01 -0.616269E-10 7.800 -0.832881E-02 -0.652595E-01 0.596670E-02 -0.142955E-01 -0.189012E-01 0.652595E-01 -0.200861E-12 8.000 -0.819618E-02 -0.639651E-01 0.692423E-02 -0.151204E-01 -0.188415E-01 0.639651E-01 -0.290856E-11 8.250 -0.795801E-02 -0.621205E-01 0.776134E-02 -0.157193E-01 -0.187034E-01 0.621205E-01 0.101187E-10 8.500 -0.767256E-02 -0.601089E-01 0.826757E-02 -0.159401E-01 -0.185298E-01 0.601089E-01 0.100591E-10 8.750 -0.736789E-02 -0.580048E-01 0.850722E-02 -0.158751E-01 -0.183509E-01 0.580048E-01 0.245569E-10 9.000 -0.706561E-02 -0.558681E-01 0.853379E-02 -0.155994E-01 -0.181908E-01 0.558681E-01 -0.923164E-11 9.250 -0.678243E-02 -0.537466E-01 0.839083E-02 -0.151733E-01 -0.180679E-01 0.537466E-01 0.300396E-10 9.500 -0.653133E-02 -0.516782E-01 0.811316E-02 -0.146445E-01 -0.179959E-01 0.516782E-01 -0.283280E-10 9.750 -0.632256E-02 -0.496932E-01 0.772841E-02 -0.140510E-01 -0.179849E-01 0.496932E-01 0.264933E-10 10.000 -0.616420E-02 -0.478155E-01 0.725869E-02 -0.134229E-01 -0.180414E-01 0.478155E-01 0.247888E-10 10.250 -0.606245E-02 -0.460641E-01 0.672241E-02 -0.127849E-01 -0.181689E-01 0.460641E-01 -0.300991E-10 10.500 -0.602175E-02 -0.444534E-01 0.613616E-02 -0.121579E-01 -0.183676E-01 0.444534E-01 -0.470529E-10 10.600 -0.602314E-02 -0.438511E-01 0.589133E-02 -0.119145E-01 -0.184664E-01 0.438511E-01 -0.149715E-09 10.700 -0.603449E-02 -0.432734E-01 0.564266E-02 -0.116771E-01 -0.185759E-01 0.432734E-01 0.116202E-10 10.800 -0.605617E-02 -0.427208E-01 0.539072E-02 -0.114469E-01 -0.186955E-01 0.427208E-01 -0.784740E-11 10.900 -0.608772E-02 -0.421934E-01 0.513716E-02 -0.112249E-01 -0.188248E-01 0.421934E-01 0.133854E-09 11.000 -0.612917E-02 -0.416916E-01 0.488313E-02 -0.110123E-01 -0.189631E-01 0.416916E-01 0.672443E-10 11.100 -0.618007E-02 -0.412151E-01 0.463026E-02 -0.108103E-01 -0.191098E-01 0.412151E-01 -0.555367E-11 11.200 -0.623914E-02 -0.407634E-01 0.438067E-02 -0.106198E-01 -0.192643E-01 0.407634E-01 -0.100616E-09 11.300 -0.630720E-02 -0.403368E-01 0.413567E-02 -0.104429E-01 -0.194259E-01 0.403368E-01 -0.170330E-11 11.400 -0.638293E-02 -0.399343E-01 0.389726E-02 -0.102802E-01 -0.195938E-01 0.399343E-01 0.456240E-10 11.500 -0.646553E-02 -0.395554E-01 0.366746E-02 -0.101330E-01 -0.197673E-01 0.395554E-01 0.450204E-09 11.600 -0.655403E-02 -0.391990E-01 0.344820E-02 -0.100022E-01 -0.199458E-01 0.391990E-01 0.165981E-10 11.700 -0.664754E-02 -0.388639E-01 0.324186E-02 -0.988940E-02 -0.201285E-01 0.388639E-01 -0.158499E-10 11.800 -0.674472E-02 -0.385493E-01 0.305113E-02 -0.979585E-02 -0.203148E-01 0.385493E-01 -0.609096E-11 11.900 -0.684472E-02 -0.382523E-01 0.287695E-02 -0.972168E-02 -0.205045E-01 0.382523E-01 -0.940909E-10 12.000 -0.694631E-02 -0.379718E-01 0.272209E-02 -0.966840E-02 -0.206971E-01 0.379718E-01 -0.279031E-09 12.250 -0.719907E-02 -0.373293E-01 0.243273E-02 -0.963180E-02 -0.211899E-01 0.373293E-01 0.196809E-10 12.500 -0.743736E-02 -0.367369E-01 0.230562E-02 -0.974299E-02 -0.217003E-01 0.367369E-01 -0.215895E-10 12.750 -0.764862E-02 -0.361545E-01 0.236558E-02 -0.100142E-01 -0.222300E-01 0.361545E-01 0.496450E-10 13.000 -0.783022E-02 -0.355294E-01 0.262663E-02 -0.104568E-01 -0.227865E-01 0.355294E-01 -0.710228E-10 13.250 -0.798428E-02 -0.348019E-01 0.309235E-02 -0.110766E-01 -0.233761E-01 0.348019E-01 0.180554E-09 13.500 -0.812076E-02 -0.339246E-01 0.375245E-02 -0.118732E-01 -0.240005E-01 0.339246E-01 -0.113295E-09 13.750 -0.827116E-02 -0.328615E-01 0.456503E-02 -0.128362E-01 -0.246577E-01 0.328615E-01 0.271943E-10 14.000 -0.848899E-02 -0.315762E-01 0.546146E-02 -0.139504E-01 -0.253393E-01 0.315762E-01 -0.326669E-10 14.250 -0.884535E-02 -0.300547E-01 0.634441E-02 -0.151898E-01 -0.260293E-01 0.300547E-01 -0.533065E-10 14.500 -0.941963E-02 -0.283187E-01 0.708729E-02 -0.165069E-01 -0.267004E-01 0.283187E-01 -0.808200E-10 14.750 -0.102756E-01 -0.264142E-01 0.757810E-02 -0.178537E-01 -0.273266E-01 0.264142E-01 0.420580E-10 15.000 -0.114347E-01 -0.244169E-01 0.773816E-02 -0.191729E-01 -0.278827E-01 0.244169E-01 -0.110319E-10 15.250 -0.128525E-01 -0.224224E-01 0.755857E-02 -0.204110E-01 -0.283504E-01 0.224224E-01 -0.287716E-10 15.500 -0.144565E-01 -0.205011E-01 0.708181E-02 -0.215383E-01 -0.287266E-01 0.205011E-01 0.715013E-10 15.750 -0.161168E-01 -0.187383E-01 0.641078E-02 -0.225276E-01 -0.290125E-01 0.187384E-01 -0.687012E-10 16.000 -0.177487E-01 -0.171584E-01 0.563228E-02 -0.233810E-01 -0.292212E-01 0.171584E-01 -0.120649E-10 16.250 -0.192658E-01 -0.157904E-01 0.483616E-02 -0.241020E-01 -0.293653E-01 0.157904E-01 -0.278063E-10 16.500 -0.206281E-01 -0.146388E-01 0.407449E-02 -0.247026E-01 -0.294578E-01 0.146388E-01 -0.313646E-10 16.750 -0.218189E-01 -0.136882E-01 0.338309E-02 -0.252020E-01 -0.295114E-01 0.136882E-01 -0.801260E-11 17.000 -0.228510E-01 -0.129007E-01 0.276762E-02 -0.256186E-01 -0.295370E-01 0.129007E-01 -0.197664E-10 17.250 -0.237280E-01 -0.122640E-01 0.223510E-02 -0.259631E-01 -0.295423E-01 0.122640E-01 0.711240E-11 17.500 -0.244700E-01 -0.117519E-01 0.177903E-02 -0.262491E-01 -0.295321E-01 0.117519E-01 0.337875E-10 18.000 -0.256231E-01 -0.110204E-01 0.106796E-02 -0.266911E-01 -0.294824E-01 0.110204E-01 -0.677028E-11 18.250 -0.260586E-01 -0.107791E-01 0.802821E-03 -0.268614E-01 -0.294478E-01 0.107791E-01 -0.132362E-10 18.500 -0.264166E-01 -0.106044E-01 0.586705E-03 -0.270034E-01 -0.294088E-01 0.106044E-01 0.673578E-11 18.750 -0.267128E-01 -0.104821E-01 0.409530E-03 -0.271224E-01 -0.293671E-01 0.104821E-01 0.357196E-11 19.000 -0.269574E-01 -0.104013E-01 0.265191E-03 -0.272226E-01 -0.293240E-01 0.104013E-01 0.782667E-12 19.250 -0.271576E-01 -0.103509E-01 0.149855E-03 -0.273074E-01 -0.292786E-01 0.103509E-01 0.563736E-11 19.500 -0.273201E-01 -0.103255E-01 0.603543E-04 -0.273805E-01 -0.292317E-01 0.103255E-01 0.174260E-10 19.750 -0.274518E-01 -0.103224E-01 -0.105987E-04 -0.274412E-01 -0.291848E-01 0.103224E-01 0.273333E-10 20.000 -0.275559E-01 -0.103368E-01 -0.648228E-04 -0.274911E-01 -0.291373E-01 0.103368E-01 0.153619E-10 S5 - GK NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 -0.461476E-02 -0.266706E+00 0.727572E-01 -0.773720E-01 -0.176335E-01 0.266706E+00 0.316280E-11 1.010 -0.403073E-02 -0.265944E+00 0.721305E-01 -0.761613E-01 -0.176096E-01 0.265944E+00 -0.972612E-11 1.012 -0.390406E-02 -0.265787E+00 0.717775E-01 -0.756815E-01 -0.176049E-01 0.265787E+00 -0.905848E-11 1.014 -0.379239E-02 -0.265636E+00 0.709976E-01 -0.747900E-01 -0.176002E-01 0.265636E+00 -0.100049E-10 1.016 -0.359215E-02 -0.265494E+00 0.696853E-01 -0.732776E-01 -0.175955E-01 0.265494E+00 -0.168173E-10 1.018 -0.346929E-02 -0.265358E+00 0.645612E-01 -0.680304E-01 -0.175905E-01 0.265358E+00 0.753650E-11 1.020 -0.329043E-02 -0.265240E+00 0.503454E-01 -0.536379E-01 -0.175842E-01 0.265240E+00 -0.241056E-11 1.022 -0.111128E-02 -0.254394E+00 0.158139E+03 -0.158140E+03 -0.167277E-01 0.254394E+00 0.115729E-10 1.024 0.339483E-02 -0.132419E-01 0.257712E+01 -0.257372E+01 -0.384322E-03 0.132419E-01 -0.177405E-11 1.026 -0.245924E-02 -0.105968E-01 0.624699E+00 -0.627158E+00 -0.197041E-03 0.105968E-01 0.395022E-11 1.028 -0.145881E-01 -0.970762E-02 0.245699E+00 -0.260287E+00 -0.119258E-03 0.970762E-02 -0.117166E-11 1.030 -0.456909E-01 -0.933363E-02 0.895372E-01 -0.135228E+00 -0.606082E-04 0.933363E-02 0.587090E-11 1.032 -0.172985E+00 -0.928674E-02 -0.946044E-01 -0.783807E-01 0.271147E-04 0.928674E-02 0.202550E-11 1.034 -0.282009E+01 -0.106072E-01 -0.277522E+01 -0.448759E-01 0.507773E-03 0.106072E-01 -0.112984E-10 1.036 -0.107425E+00 0.451069E-01 -0.707689E-01 -0.366574E-01 -0.136409E-01 -0.451069E-01 -0.578788E-13 1.038 0.106736E-01 0.450786E-01 0.478706E-01 -0.371970E-01 -0.136462E-01 -0.450786E-01 0.658757E-12 1.040 0.252711E-01 0.451789E-01 0.623120E-01 -0.370409E-01 -0.136472E-01 -0.451789E-01 0.192151E-12 1.042 0.296404E-01 0.452986E-01 0.664702E-01 -0.368298E-01 -0.136477E-01 -0.452986E-01 0.205281E-11 1.044 0.315345E-01 0.453908E-01 0.682848E-01 -0.367502E-01 -0.136478E-01 -0.453908E-01 0.128599E-11 1.046 0.324050E-01 0.455216E-01 0.689661E-01 -0.365611E-01 -0.136482E-01 -0.455216E-01 0.731263E-12 1.048 0.328310E-01 0.456622E-01 0.691888E-01 -0.363578E-01 -0.136486E-01 -0.456622E-01 0.152728E-11 1.050 0.330899E-01 0.457860E-01 0.693011E-01 -0.362112E-01 -0.136489E-01 -0.457860E-01 0.787606E-12 1.060 0.336974E-01 0.464191E-01 0.696682E-01 -0.359708E-01 -0.136504E-01 -0.464191E-01 -0.441050E-12 1.070 0.338778E-01 0.470914E-01 0.697331E-01 -0.358553E-01 -0.136522E-01 -0.470914E-01 0.265113E-12 1.080 0.337521E-01 0.477771E-01 0.693481E-01 -0.355960E-01 -0.136536E-01 -0.477771E-01 0.201122E-12 1.090 0.338276E-01 0.483879E-01 0.694425E-01 -0.356148E-01 -0.136538E-01 -0.483879E-01 0.352413E-12 1.100 0.337490E-01 0.489483E-01 0.692822E-01 -0.355332E-01 -0.136535E-01 -0.489483E-01 0.180651E-11 1.200 0.322845E-01 0.550006E-01 0.670014E-01 -0.347169E-01 -0.136562E-01 -0.550006E-01 -0.705447E-12 1.300 0.340576E-01 0.619347E-01 0.715180E-01 -0.374604E-01 -0.136562E-01 -0.619347E-01 0.109089E-11 1.400 0.358419E-01 0.696313E-01 0.748800E-01 -0.376688E-01 -0.136442E-01 -0.696751E-01 0.411560E-06 1.500 0.440321E-01 0.780652E-01 0.946036E-01 -0.505714E-01 -0.136298E-01 -0.780652E-01 0.446915E-12 1.600 0.514625E-01 0.883305E-01 0.111813E+00 -0.603505E-01 -0.136002E-01 -0.883305E-01 0.939099E-10 1.700 0.614792E-01 0.100751E+00 0.134987E+00 -0.735080E-01 -0.135642E-01 -0.100751E+00 0.558226E-11 1.800 0.762008E-01 0.116175E+00 0.169675E+00 -0.934739E-01 -0.135225E-01 -0.116175E+00 0.169378E-10 1.900 0.967927E-01 0.135336E+00 0.218539E+00 -0.121747E+00 -0.134707E-01 -0.135336E+00 -0.970800E-11 2.000 0.128446E+00 0.161299E+00 0.294401E+00 -0.165954E+00 -0.134131E-01 -0.161299E+00 -0.185030E-10 2.100 0.176631E+00 0.195861E+00 0.411584E+00 -0.234953E+00 -0.133461E-01 -0.195861E+00 -0.536905E-11 2.200 0.255603E+00 0.246308E+00 0.607780E+00 -0.352177E+00 -0.132944E-01 -0.246308E+00 -0.594265E-11 2.300 0.390747E+00 0.323627E+00 0.957352E+00 -0.566605E+00 -0.132897E-01 -0.323627E+00 0.172003E-11 2.400 0.636205E+00 0.450563E+00 0.162914E+01 -0.992931E+00 -0.134602E-01 -0.450563E+00 -0.964937E-11 2.500 0.110760E+01 0.676547E+00 0.301699E+01 -0.190938E+01 -0.141794E-01 -0.676547E+00 0.123685E-11 2.600 0.200582E+01 0.110918E+01 0.590371E+01 -0.389789E+01 -0.164891E-01 -0.110918E+01 0.376532E-11 2.700 0.323418E+01 0.191632E+01 0.101096E+02 -0.687542E+01 -0.227951E-01 -0.191632E+01 0.170510E-10 2.800 0.236334E+01 0.291451E+01 0.754552E+01 -0.518218E+01 -0.343246E-01 -0.291451E+01 0.153600E-09 2.900 -0.241507E+01 0.301057E+01 -0.606494E+01 0.364986E+01 -0.426224E-01 -0.301057E+01 -0.469584E-11 3.000 -0.433318E+01 0.203721E+01 -0.109720E+02 0.663884E+01 -0.397083E-01 -0.203721E+01 -0.228569E-10 3.100 -0.327256E+01 0.110991E+01 -0.721260E+01 0.394003E+01 -0.327699E-01 -0.110991E+01 0.837466E-10 3.200 -0.206740E+01 0.570654E+00 -0.385147E+01 0.178407E+01 -0.282883E-01 -0.570654E+00 0.565224E-10 3.300 -0.116983E+01 0.290961E+00 -0.193937E+01 0.769538E+00 -0.263782E-01 -0.290961E+00 0.539510E-10 3.400 -0.620248E+00 0.152252E+00 -0.949882E+00 0.329634E+00 -0.258272E-01 -0.152252E+00 -0.540651E-12 3.500 -0.332373E+00 0.844293E-01 -0.464085E+00 0.131712E+00 -0.258832E-01 -0.844293E-01 -0.415053E-12 3.600 -0.186290E+00 0.514978E-01 -0.221478E+00 0.351876E-01 -0.262110E-01 -0.514978E-01 -0.421709E-11 3.700 -0.109651E+00 0.363949E-01 -0.935815E-01 -0.160698E-01 -0.266703E-01 -0.363949E-01 0.145459E-11 3.800 -0.675916E-01 0.309376E-01 -0.222286E-01 -0.453630E-01 -0.272013E-01 -0.309376E-01 -0.139825E-11 3.900 -0.438032E-01 0.309715E-01 0.192322E-01 -0.630354E-01 -0.277769E-01 -0.309715E-01 0.125208E-11 4.000 -0.303834E-01 0.342238E-01 0.436339E-01 -0.740173E-01 -0.283827E-01 -0.342238E-01 0.103217E-11 4.100 -0.232907E-01 0.393499E-01 0.575190E-01 -0.808098E-01 -0.290094E-01 -0.393499E-01 0.194489E-11 4.200 -0.203272E-01 0.454925E-01 0.644319E-01 -0.847591E-01 -0.296494E-01 -0.454925E-01 -0.428413E-12 4.300 -0.202095E-01 0.520652E-01 0.664296E-01 -0.866392E-01 -0.302949E-01 -0.520652E-01 0.298776E-12 4.400 -0.221247E-01 0.586459E-01 0.648055E-01 -0.869302E-01 -0.309380E-01 -0.586459E-01 -0.102971E-11 4.500 -0.255048E-01 0.649200E-01 0.604650E-01 -0.859698E-01 -0.315703E-01 -0.649200E-01 -0.608108E-11 4.600 -0.299124E-01 0.706536E-01 0.541139E-01 -0.840263E-01 -0.321832E-01 -0.706536E-01 -0.108205E-10 4.700 -0.349829E-01 0.756755E-01 0.463618E-01 -0.813447E-01 -0.327681E-01 -0.756755E-01 -0.125472E-10 4.800 -0.404058E-01 0.798743E-01 0.377285E-01 -0.781344E-01 -0.333173E-01 -0.798743E-01 -0.732748E-11 4.900 -0.459077E-01 0.831863E-01 0.286981E-01 -0.746058E-01 -0.338237E-01 -0.831863E-01 -0.196230E-10 5.000 -0.512574E-01 0.855952E-01 0.196838E-01 -0.709412E-01 -0.342812E-01 -0.855952E-01 -0.246915E-10 5.100 -0.562613E-01 0.871190E-01 0.110508E-01 -0.673121E-01 -0.346849E-01 -0.871190E-01 -0.309601E-11 5.200 -0.607761E-01 0.878113E-01 0.306754E-02 -0.638436E-01 -0.350312E-01 -0.878113E-01 0.137556E-11 5.300 -0.647003E-01 0.877478E-01 -0.406807E-02 -0.606323E-01 -0.353175E-01 -0.877478E-01 0.165113E-12 5.400 -0.679749E-01 0.870203E-01 -0.102366E-01 -0.577383E-01 -0.355422E-01 -0.870203E-01 -0.679927E-12 5.500 -0.705765E-01 0.857287E-01 -0.153840E-01 -0.551925E-01 -0.357047E-01 -0.857287E-01 -0.645487E-11 5.600 -0.725122E-01 0.839750E-01 -0.195157E-01 -0.529966E-01 -0.358046E-01 -0.839750E-01 0.254911E-12 5.700 -0.738123E-01 0.818587E-01 -0.226795E-01 -0.511328E-01 -0.358426E-01 -0.818587E-01 -0.185885E-11 5.800 -0.745235E-01 0.794726E-01 -0.249546E-01 -0.495689E-01 -0.358195E-01 -0.794726E-01 0.629044E-12 5.900 -0.747020E-01 0.769002E-01 -0.264364E-01 -0.482656E-01 -0.357369E-01 -0.769002E-01 0.864089E-12 6.000 -0.744114E-01 0.742155E-01 -0.272313E-01 -0.471801E-01 -0.355967E-01 -0.742155E-01 -0.412659E-12 6.200 -0.726791E-01 0.687519E-01 -0.271706E-01 -0.455085E-01 -0.351551E-01 -0.687519E-01 -0.112512E-11 6.400 -0.698227E-01 0.634699E-01 -0.255249E-01 -0.442978E-01 -0.345239E-01 -0.634699E-01 -0.353338E-11 6.600 -0.662813E-01 0.586226E-01 -0.228929E-01 -0.433884E-01 -0.337423E-01 -0.586226E-01 0.370356E-12 6.800 -0.624154E-01 0.543597E-01 -0.197223E-01 -0.426931E-01 -0.328560E-01 -0.543597E-01 0.171968E-11 7.000 -0.585020E-01 0.507540E-01 -0.163425E-01 -0.421595E-01 -0.319121E-01 -0.507540E-01 0.897020E-11 7.200 -0.547378E-01 0.478223E-01 -0.129946E-01 -0.417432E-01 -0.309532E-01 -0.478223E-01 -0.125082E-11 7.400 -0.512494E-01 0.455402E-01 -0.985317E-02 -0.413962E-01 -0.300144E-01 -0.455402E-01 0.122093E-10 7.600 -0.481061E-01 0.438539E-01 -0.703605E-02 -0.410701E-01 -0.291212E-01 -0.438539E-01 0.944280E-11 7.800 -0.453346E-01 0.426913E-01 -0.461255E-02 -0.407221E-01 -0.282902E-01 -0.426913E-01 0.898392E-12 8.000 -0.429326E-01 0.419699E-01 -0.261171E-02 -0.403209E-01 -0.275309E-01 -0.419699E-01 0.139055E-13 8.250 -0.404159E-01 0.415598E-01 -0.699144E-03 -0.397168E-01 -0.266872E-01 -0.415598E-01 -0.218149E-11 8.500 -0.383801E-01 0.415487E-01 0.609045E-03 -0.389892E-01 -0.259587E-01 -0.415487E-01 -0.102019E-11 8.750 -0.367544E-01 0.417953E-01 0.139517E-02 -0.381495E-01 -0.253378E-01 -0.417953E-01 -0.166691E-11 9.000 -0.354687E-01 0.421809E-01 0.175585E-02 -0.372246E-01 -0.248142E-01 -0.421809E-01 -0.380052E-11 9.250 -0.344593E-01 0.426126E-01 0.179079E-02 -0.362501E-01 -0.243759E-01 -0.426126E-01 -0.353774E-11 9.500 -0.336701E-01 0.430214E-01 0.159566E-02 -0.352657E-01 -0.240109E-01 -0.430214E-01 0.384239E-11 9.750 -0.330528E-01 0.433622E-01 0.125735E-02 -0.343101E-01 -0.237071E-01 -0.433622E-01 0.629925E-12 10.000 -0.325664E-01 0.436093E-01 0.852463E-03 -0.334188E-01 -0.234526E-01 -0.436093E-01 -0.459515E-12 10.250 -0.321759E-01 0.437546E-01 0.445448E-03 -0.326213E-01 -0.232358E-01 -0.437546E-01 0.393963E-11 10.500 -0.318512E-01 0.438043E-01 0.877890E-04 -0.319390E-01 -0.230455E-01 -0.438043E-01 0.219019E-11 10.600 -0.317337E-01 0.438008E-01 -0.320691E-04 -0.317017E-01 -0.229743E-01 -0.438008E-01 0.117867E-10 10.700 -0.316211E-01 0.437862E-01 -0.135769E-03 -0.314853E-01 -0.229048E-01 -0.437862E-01 0.295904E-12 10.800 -0.315116E-01 0.437623E-01 -0.222013E-03 -0.312896E-01 -0.228364E-01 -0.437623E-01 -0.478890E-12 10.900 -0.314041E-01 0.437304E-01 -0.287767E-03 -0.311163E-01 -0.227684E-01 -0.437304E-01 -0.671827E-11 11.000 -0.312970E-01 0.436931E-01 -0.334800E-03 -0.309622E-01 -0.227000E-01 -0.436931E-01 -0.534269E-11 11.100 -0.311891E-01 0.436519E-01 -0.361764E-03 -0.308273E-01 -0.226305E-01 -0.436519E-01 -0.295621E-12 11.200 -0.310792E-01 0.436085E-01 -0.364369E-03 -0.307148E-01 -0.225595E-01 -0.436085E-01 0.681226E-11 11.300 -0.309659E-01 0.435666E-01 -0.348569E-03 -0.306173E-01 -0.224859E-01 -0.435666E-01 0.114213E-11 11.400 -0.308481E-01 0.435275E-01 -0.311746E-03 -0.305364E-01 -0.224093E-01 -0.435275E-01 0.537516E-12 11.500 -0.307247E-01 0.434933E-01 -0.253980E-03 -0.304707E-01 -0.223289E-01 -0.434933E-01 -0.323035E-10 11.600 -0.305948E-01 0.434639E-01 -0.175659E-03 -0.304192E-01 -0.222443E-01 -0.434639E-01 0.953723E-12 11.700 -0.304568E-01 0.434457E-01 -0.770338E-04 -0.303798E-01 -0.221543E-01 -0.434457E-01 0.362630E-11 11.800 -0.303099E-01 0.434380E-01 0.418021E-04 -0.303517E-01 -0.220586E-01 -0.434380E-01 -0.140319E-11 11.900 -0.301531E-01 0.434444E-01 0.178426E-03 -0.303315E-01 -0.219561E-01 -0.434444E-01 0.634244E-11 12.000 -0.299853E-01 0.434654E-01 0.334134E-03 -0.303194E-01 -0.218465E-01 -0.434654E-01 0.235511E-10 12.250 -0.295131E-01 0.435900E-01 0.804043E-03 -0.303171E-01 -0.215368E-01 -0.435900E-01 0.471096E-12 12.500 -0.289554E-01 0.438368E-01 0.138050E-02 -0.303359E-01 -0.211660E-01 -0.438368E-01 0.229040E-11 12.750 -0.283008E-01 0.442404E-01 0.203359E-02 -0.303344E-01 -0.207205E-01 -0.442404E-01 -0.691809E-11 13.000 -0.275442E-01 0.448240E-01 0.273188E-02 -0.302761E-01 -0.201850E-01 -0.448240E-01 0.113696E-10 13.250 -0.266869E-01 0.455965E-01 0.345940E-02 -0.301463E-01 -0.195441E-01 -0.455965E-01 -0.362134E-10 13.500 -0.257471E-01 0.465510E-01 0.419812E-02 -0.299452E-01 -0.187867E-01 -0.465510E-01 0.244208E-10 13.750 -0.247583E-01 0.476881E-01 0.488642E-02 -0.296447E-01 -0.179027E-01 -0.476881E-01 -0.465022E-11 14.000 -0.237669E-01 0.489900E-01 0.545997E-02 -0.292269E-01 -0.168866E-01 -0.489900E-01 0.866300E-11 14.250 -0.228272E-01 0.504139E-01 0.585857E-02 -0.286858E-01 -0.157432E-01 -0.504139E-01 0.187919E-10 14.500 -0.219917E-01 0.519181E-01 0.602224E-02 -0.280139E-01 -0.144937E-01 -0.519181E-01 0.303819E-10 14.750 -0.212876E-01 0.534350E-01 0.594809E-02 -0.272357E-01 -0.131715E-01 -0.534350E-01 -0.192575E-10 15.000 -0.207124E-01 0.549065E-01 0.565869E-02 -0.263711E-01 -0.118224E-01 -0.549065E-01 0.497698E-11 15.250 -0.202368E-01 0.562835E-01 0.522486E-02 -0.254616E-01 -0.105003E-01 -0.562835E-01 0.144304E-10 15.500 -0.198215E-01 0.575388E-01 0.472056E-02 -0.245421E-01 -0.924429E-02 -0.575388E-01 -0.445240E-10 15.750 -0.194349E-01 0.586621E-01 0.422025E-02 -0.236551E-01 -0.809571E-02 -0.586621E-01 0.459158E-10 16.000 -0.190583E-01 0.596650E-01 0.376089E-02 -0.228192E-01 -0.706580E-02 -0.596650E-01 0.101277E-10 16.250 -0.186886E-01 0.605548E-01 0.336637E-02 -0.220549E-01 -0.616617E-02 -0.605548E-01 0.211184E-10 16.500 -0.183320E-01 0.613473E-01 0.304193E-02 -0.213739E-01 -0.539604E-02 -0.613473E-01 0.236362E-10 16.750 -0.179945E-01 0.620637E-01 0.278104E-02 -0.207755E-01 -0.474304E-02 -0.620637E-01 0.430509E-11 17.000 -0.176773E-01 0.627241E-01 0.256897E-02 -0.202463E-01 -0.418697E-02 -0.627241E-01 0.166054E-10 17.250 -0.173854E-01 0.633315E-01 0.239695E-02 -0.197824E-01 -0.371945E-02 -0.633315E-01 -0.676919E-11 17.500 -0.171191E-01 0.639033E-01 0.225499E-02 -0.193741E-01 -0.332546E-02 -0.639033E-01 -0.325855E-10 18.000 -0.166572E-01 0.649518E-01 0.204187E-02 -0.186990E-01 -0.271347E-02 -0.649518E-01 0.558638E-11 18.250 -0.164613E-01 0.654369E-01 0.196398E-02 -0.184253E-01 -0.248096E-02 -0.654369E-01 0.143408E-10 18.500 -0.162868E-01 0.659039E-01 0.189597E-02 -0.181828E-01 -0.228794E-02 -0.659039E-01 -0.654576E-11 18.750 -0.161302E-01 0.663528E-01 0.183553E-02 -0.179657E-01 -0.212671E-02 -0.663529E-01 -0.500434E-11 19.000 -0.159884E-01 0.667831E-01 0.178092E-02 -0.177693E-01 -0.199165E-02 -0.667831E-01 0.673081E-12 19.250 -0.158588E-01 0.672078E-01 0.173684E-02 -0.175957E-01 -0.187783E-02 -0.672078E-01 -0.614657E-11 19.500 -0.157398E-01 0.676269E-01 0.170183E-02 -0.174416E-01 -0.178174E-02 -0.676269E-01 -0.188314E-10 19.750 -0.156299E-01 0.680311E-01 0.166827E-02 -0.172982E-01 -0.170110E-02 -0.680311E-01 -0.262121E-10 20.000 -0.155279E-01 0.684280E-01 0.163824E-02 -0.171661E-01 -0.163368E-02 -0.684280E-01 -0.149450E-10 S5 - H NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 -0.117277E-01 0.183721E-03 -0.204422E-02 -0.968350E-02 -0.974954E-04 -0.183721E-03 -0.168900E-11 1.010 -0.250460E-01 0.805743E-04 -0.508595E-02 -0.199601E-01 -0.132040E-03 -0.805742E-04 0.133110E-10 1.012 -0.262959E-01 0.123710E-03 -0.247471E-02 -0.238212E-01 -0.134995E-03 -0.123710E-03 0.195347E-11 1.014 -0.264370E-01 0.201480E-03 0.412072E-02 -0.305577E-01 -0.138452E-03 -0.201480E-03 -0.843969E-11 1.016 -0.177203E-01 0.463463E-03 0.249213E-01 -0.426417E-01 -0.133661E-03 -0.463465E-03 -0.167724E-10 1.018 -0.181285E-01 0.632715E-03 0.711023E-01 -0.892308E-01 -0.168590E-03 -0.632717E-03 0.284213E-11 1.020 -0.216219E-01 0.103019E-02 0.327477E+00 -0.349100E+00 -0.291905E-03 -0.103019E-02 -0.344643E-11 1.022 -0.177854E-01 0.139475E-01 0.893832E+02 -0.894004E+02 -0.428304E-02 -0.139474E-01 0.440119E-12 1.024 0.368243E-01 0.443575E-01 0.864159E-01 -0.495917E-01 -0.136481E-01 -0.443575E-01 0.910861E-11 1.026 0.351726E-01 0.443769E-01 0.772064E-01 -0.420339E-01 -0.136492E-01 -0.443769E-01 0.432007E-11 1.028 0.319165E-01 0.444375E-01 0.723545E-01 -0.404381E-01 -0.136490E-01 -0.444375E-01 0.325986E-11 1.030 0.250225E-01 0.445151E-01 0.646898E-01 -0.396673E-01 -0.136489E-01 -0.445151E-01 0.116097E-11 1.032 -0.189970E-02 0.445805E-01 0.373108E-01 -0.392105E-01 -0.136489E-01 -0.445805E-01 0.115539E-11 1.034 -0.640500E+00 0.443562E-01 -0.600629E+00 -0.398949E-01 -0.136392E-01 -0.443563E-01 -0.593933E-12 1.036 -0.870778E+00 -0.727592E-02 -0.841510E+00 -0.292682E-01 -0.457212E-03 0.727592E-02 -0.173593E-10 1.038 -0.128776E+00 -0.786022E-02 -0.111491E+00 -0.172853E-01 -0.241700E-03 0.786022E-02 0.352471E-12 1.040 -0.432207E-01 -0.796411E-02 -0.330709E-01 -0.101498E-01 -0.185914E-03 0.796412E-02 0.360678E-11 1.042 -0.171220E-01 -0.798815E-02 -0.119948E-01 -0.512720E-02 -0.158865E-03 0.798815E-02 0.228899E-10 1.044 -0.591800E-02 -0.798638E-02 -0.446677E-02 -0.145121E-02 -0.142801E-03 0.798638E-02 0.704635E-11 1.046 0.798881E-04 -0.798689E-02 -0.869081E-03 0.948981E-03 -0.132260E-03 0.798690E-02 0.100616E-10 1.048 0.359842E-02 -0.799554E-02 0.144601E-02 0.215240E-02 -0.125958E-03 0.799554E-02 0.132866E-10 1.050 0.589963E-02 -0.799668E-02 0.249509E-02 0.340473E-02 -0.120776E-03 0.799678E-02 0.486084E-11 1.060 0.106902E-01 -0.803017E-02 0.478629E-02 0.590392E-02 -0.109750E-03 0.803017E-02 -0.984481E-12 1.070 0.121967E-01 -0.805858E-02 0.535299E-02 0.684367E-02 -0.107447E-03 0.805858E-02 0.427389E-11 1.080 0.128671E-01 -0.804184E-02 0.471838E-02 0.814872E-02 -0.104651E-03 0.804184E-02 -0.368030E-11 1.090 0.131594E-01 -0.798838E-02 0.339586E-02 0.976358E-02 -0.100703E-03 0.798838E-02 -0.461640E-12 1.100 0.132903E-01 -0.789747E-02 0.169654E-02 0.115937E-01 -0.950442E-04 0.789747E-02 -0.424055E-11 1.200 0.140485E-01 -0.779785E-02 0.140139E-02 0.126471E-01 -0.113110E-03 0.779785E-02 -0.143057E-11 1.300 0.152967E-01 -0.745700E-02 0.548903E-02 0.980770E-02 -0.145607E-03 0.745700E-02 -0.109920E-11 1.400 0.221971E-01 -0.721342E-02 0.327377E-01 -0.131520E-01 -0.187363E-03 0.729715E-02 -0.840424E-06 1.500 0.197408E-01 -0.524285E-02 0.168433E-01 0.289748E-02 -0.220063E-03 0.524285E-02 0.295529E-11 1.600 0.230805E-01 -0.307909E-02 0.253965E-01 -0.231598E-02 -0.269210E-03 0.307909E-02 -0.306762E-09 1.700 0.277702E-01 0.579181E-04 0.376198E-01 -0.984951E-02 -0.336671E-03 -0.579193E-04 0.165072E-11 1.800 0.342950E-01 0.459846E-02 0.548307E-01 -0.205357E-01 -0.428307E-03 -0.459846E-02 0.120816E-10 1.900 0.441410E-01 0.112361E-01 0.807826E-01 -0.366415E-01 -0.551201E-03 -0.112361E-01 -0.271850E-10 2.000 0.587321E-01 0.211167E-01 0.120117E+00 -0.613845E-01 -0.719671E-03 -0.211167E-01 0.314331E-10 2.100 0.827393E-01 0.362138E-01 0.185232E+00 -0.102493E+00 -0.965601E-03 -0.362138E-01 0.563559E-10 2.200 0.123025E+00 0.599229E-01 0.296888E+00 -0.173863E+00 -0.133235E-02 -0.599229E-01 0.108126E-10 2.300 0.194607E+00 0.990583E-01 0.502043E+00 -0.307436E+00 -0.190010E-02 -0.990583E-01 -0.369872E-10 2.400 0.331808E+00 0.167908E+00 0.913835E+00 -0.582027E+00 -0.283422E-02 -0.167908E+00 -0.172909E-10 2.500 0.619882E+00 0.299718E+00 0.182938E+01 -0.120950E+01 -0.449279E-02 -0.299721E+00 0.347643E-10 2.600 0.128542E+01 0.578759E+00 0.405391E+01 -0.276848E+01 -0.763235E-02 -0.578759E+00 0.216948E-10 2.700 0.286202E+01 0.121225E+01 0.920557E+01 -0.634356E+01 -0.134361E-01 -0.121225E+01 -0.147482E-10 2.800 0.542732E+01 0.250714E+01 0.164438E+02 -0.110165E+02 -0.212887E-01 -0.250714E+01 0.157286E-10 2.900 0.319475E+01 0.412398E+01 0.118879E+02 -0.869315E+01 -0.258245E-01 -0.412398E+01 -0.210780E-10 3.000 -0.683775E+01 0.419383E+01 -0.101951E+02 0.335739E+01 -0.228497E-01 -0.419383E+01 -0.945030E-11 3.100 -0.793725E+01 0.280467E+01 -0.141341E+02 0.619687E+01 -0.165589E-01 -0.280467E+01 0.257034E-10 3.200 -0.480774E+01 0.165979E+01 -0.871110E+01 0.390336E+01 -0.117655E-01 -0.165979E+01 0.204728E-10 3.300 -0.269193E+01 0.100172E+01 -0.484430E+01 0.215237E+01 -0.882194E-02 -0.100172E+01 0.182354E-10 3.400 -0.158252E+01 0.631196E+00 -0.279847E+01 0.121595E+01 -0.703214E-02 -0.631196E+00 -0.147574E-11 3.500 -0.996399E+00 0.411117E+00 -0.171860E+01 0.722199E+00 -0.590571E-02 -0.411117E+00 0.842762E-12 3.600 -0.667857E+00 0.272296E+00 -0.111661E+01 0.448753E+00 -0.517379E-02 -0.272296E+00 0.264989E-11 3.700 -0.470985E+00 0.180206E+00 -0.758898E+00 0.287913E+00 -0.469227E-02 -0.180206E+00 0.614659E-11 3.800 -0.344858E+00 0.116714E+00 -0.531963E+00 0.187105E+00 -0.437970E-02 -0.116714E+00 0.733068E-11 3.900 -0.258597E+00 0.719152E-01 -0.378205E+00 0.119608E+00 -0.418945E-02 -0.719152E-01 0.225659E-11 4.000 -0.195763E+00 0.401815E-01 -0.266957E+00 0.711936E-01 -0.409509E-02 -0.401815E-01 0.393041E-11 4.100 -0.147221E+00 0.182067E-01 -0.181153E+00 0.339314E-01 -0.408199E-02 -0.182067E-01 -0.978771E-12 4.200 -0.107719E+00 0.398424E-02 -0.110965E+00 0.324616E-02 -0.414257E-02 -0.398424E-02 -0.719800E-12 4.300 -0.742475E-01 -0.373292E-02 -0.507584E-01 -0.234891E-01 -0.427380E-02 0.373292E-02 -0.835458E-12 4.400 -0.450629E-01 -0.577640E-02 0.275942E-02 -0.478223E-01 -0.447497E-02 0.577640E-02 -0.338668E-11 4.500 -0.193013E-01 -0.272489E-02 0.511980E-01 -0.704993E-01 -0.474693E-02 0.272489E-02 -0.172693E-10 4.600 0.343041E-02 0.494154E-02 0.952597E-01 -0.918293E-01 -0.509068E-02 -0.494153E-02 -0.297680E-10 4.700 0.231152E-01 0.168234E-01 0.134805E+00 -0.111690E+00 -0.550797E-02 -0.168234E-01 -0.357488E-10 4.800 0.397947E-01 0.324204E-01 0.169820E+00 -0.130025E+00 -0.599716E-02 -0.324204E-01 -0.326350E-10 4.900 0.532553E-01 0.512657E-01 0.199713E+00 -0.146458E+00 -0.655701E-02 -0.512657E-01 -0.119954E-09 5.000 0.633935E-01 0.727976E-01 0.224101E+00 -0.160707E+00 -0.718297E-02 -0.727976E-01 -0.930643E-10 5.100 0.700322E-01 0.964767E-01 0.242395E+00 -0.172363E+00 -0.787133E-02 -0.964767E-01 0.854774E-10 5.200 0.731735E-01 0.121658E+00 0.254375E+00 -0.181201E+00 -0.861374E-02 -0.121658E+00 0.360274E-10 5.300 0.728442E-01 0.147700E+00 0.259847E+00 -0.187003E+00 -0.940109E-02 -0.147700E+00 0.161929E-11 5.400 0.691754E-01 0.173937E+00 0.258836E+00 -0.189661E+00 -0.102222E-01 -0.173937E+00 0.694086E-11 5.500 0.623413E-01 0.199731E+00 0.251432E+00 -0.189091E+00 -0.110655E-01 -0.199731E+00 0.496126E-11 5.600 0.526414E-01 0.224453E+00 0.237993E+00 -0.185351E+00 -0.119176E-01 -0.224453E+00 0.318078E-11 5.700 0.404525E-01 0.247522E+00 0.219025E+00 -0.178572E+00 -0.127650E-01 -0.247522E+00 -0.248170E-11 5.800 0.262502E-01 0.268422E+00 0.195231E+00 -0.168981E+00 -0.135941E-01 -0.268422E+00 0.204114E-11 5.900 0.106104E-01 0.286715E+00 0.167547E+00 -0.156937E+00 -0.143916E-01 -0.286715E+00 -0.142213E-10 6.000 -0.583831E-02 0.302064E+00 0.137009E+00 -0.142847E+00 -0.151450E-01 -0.302064E+00 -0.465378E-11 6.200 -0.384748E-01 0.323160E+00 0.721762E-01 -0.110651E+00 -0.164782E-01 -0.323160E+00 0.156421E-11 6.400 -0.667058E-01 0.331361E+00 0.101444E-01 -0.768503E-01 -0.175313E-01 -0.331361E+00 -0.218590E-10 6.600 -0.871706E-01 0.328038E+00 -0.416454E-01 -0.455252E-01 -0.182811E-01 -0.328038E+00 -0.503026E-11 6.800 -0.988029E-01 0.315703E+00 -0.793869E-01 -0.194161E-01 -0.187419E-01 -0.315703E+00 0.114496E-10 7.000 -0.102513E+00 0.297246E+00 -0.102906E+00 0.392731E-03 -0.189548E-01 -0.297246E+00 0.331666E-10 7.200 -0.100272E+00 0.275324E+00 -0.114437E+00 0.141650E-01 -0.189733E-01 -0.275324E+00 -0.139430E-11 7.400 -0.942269E-01 0.252028E+00 -0.117153E+00 0.229261E-01 -0.188512E-01 -0.252028E+00 0.551082E-10 7.600 -0.861725E-01 0.228813E+00 -0.114095E+00 0.279222E-01 -0.186349E-01 -0.228813E+00 0.469998E-10 7.800 -0.773840E-01 0.206581E+00 -0.107676E+00 0.302916E-01 -0.183598E-01 -0.206581E+00 -0.372137E-11 8.000 -0.686615E-01 0.185822E+00 -0.995958E-01 0.309343E-01 -0.180518E-01 -0.185822E+00 0.364220E-11 8.250 -0.584975E-01 0.162257E+00 -0.887744E-01 0.302769E-01 -0.176447E-01 -0.162257E+00 -0.744963E-11 8.500 -0.494716E-01 0.141384E+00 -0.782184E-01 0.287468E-01 -0.172286E-01 -0.141384E+00 -0.873814E-11 8.750 -0.416359E-01 0.123057E+00 -0.684624E-01 0.268266E-01 -0.168102E-01 -0.123057E+00 -0.362783E-10 9.000 -0.348984E-01 0.107050E+00 -0.596843E-01 0.247859E-01 -0.163894E-01 -0.107050E+00 0.526943E-11 9.250 -0.291145E-01 0.931160E-01 -0.518850E-01 0.227706E-01 -0.159617E-01 -0.931160E-01 -0.284619E-10 9.500 -0.241326E-01 0.810184E-01 -0.449888E-01 0.208561E-01 -0.155205E-01 -0.810184E-01 0.416426E-10 9.750 -0.198152E-01 0.705439E-01 -0.388945E-01 0.190793E-01 -0.150580E-01 -0.705439E-01 -0.224770E-10 10.000 -0.160469E-01 0.615045E-01 -0.335020E-01 0.174551E-01 -0.145658E-01 -0.615045E-01 -0.316795E-10 10.250 -0.127370E-01 0.537356E-01 -0.287231E-01 0.159861E-01 -0.140356E-01 -0.537356E-01 0.516075E-10 10.500 -0.981950E-02 0.470932E-01 -0.244873E-01 0.146678E-01 -0.134601E-01 -0.470932E-01 0.606475E-10 10.600 -0.875202E-02 0.447222E-01 -0.229326E-01 0.141806E-01 -0.132159E-01 -0.447222E-01 0.194293E-09 10.700 -0.773854E-02 0.425034E-01 -0.214541E-01 0.137156E-01 -0.129634E-01 -0.425034E-01 -0.110909E-10 10.800 -0.677743E-02 0.404287E-01 -0.200489E-01 0.132715E-01 -0.127025E-01 -0.404287E-01 0.312605E-10 10.900 -0.586816E-02 0.384905E-01 -0.187158E-01 0.128477E-01 -0.124331E-01 -0.384905E-01 -0.205563E-09 11.000 -0.500950E-02 0.366826E-01 -0.174524E-01 0.124429E-01 -0.121555E-01 -0.366826E-01 -0.948878E-10 11.100 -0.420115E-02 0.349987E-01 -0.162579E-01 0.120567E-01 -0.118698E-01 -0.349987E-01 0.249244E-10 11.200 -0.344478E-02 0.334314E-01 -0.151331E-01 0.116884E-01 -0.115766E-01 -0.334314E-01 0.157657E-09 11.300 -0.273782E-02 0.319726E-01 -0.140744E-01 0.113366E-01 -0.112762E-01 -0.319726E-01 0.115005E-10 11.400 -0.208123E-02 0.306165E-01 -0.130818E-01 0.110005E-01 -0.109694E-01 -0.306165E-01 -0.671069E-10 11.500 -0.147494E-02 0.293565E-01 -0.121542E-01 0.106792E-01 -0.106571E-01 -0.293565E-01 -0.825845E-09 11.600 -0.917894E-03 0.281865E-01 -0.112896E-01 0.103717E-01 -0.103403E-01 -0.281865E-01 -0.498556E-10 11.700 -0.410737E-03 0.270997E-01 -0.104878E-01 0.100771E-01 -0.100198E-01 -0.270997E-01 0.141920E-10 11.800 0.478042E-04 0.260911E-01 -0.974727E-02 0.979508E-02 -0.969714E-02 -0.260911E-01 0.374750E-10 11.900 0.458652E-03 0.251526E-01 -0.906527E-02 0.952392E-02 -0.937292E-02 -0.251526E-01 0.203945E-09 12.000 0.824004E-03 0.242802E-01 -0.843945E-02 0.926345E-02 -0.904888E-02 -0.242802E-01 0.621305E-09 12.250 0.155056E-02 0.223526E-01 -0.710308E-02 0.865363E-02 -0.824775E-02 -0.223526E-01 -0.770502E-10 12.500 0.203902E-02 0.207226E-01 -0.605447E-02 0.809349E-02 -0.747027E-02 -0.207226E-01 0.466969E-10 12.750 0.233604E-02 0.193304E-01 -0.524013E-02 0.757617E-02 -0.673401E-02 -0.193304E-01 -0.147518E-09 13.000 0.248739E-02 0.181182E-01 -0.461071E-02 0.709810E-02 -0.604379E-02 -0.181182E-01 0.288854E-09 13.250 0.254093E-02 0.170616E-01 -0.412348E-02 0.666441E-02 -0.541228E-02 -0.170616E-01 -0.846294E-09 13.500 0.252344E-02 0.161209E-01 -0.375469E-02 0.627813E-02 -0.484926E-02 -0.161209E-01 0.618972E-09 13.750 0.246436E-02 0.152676E-01 -0.345153E-02 0.591589E-02 -0.434386E-02 -0.152676E-01 -0.174738E-09 14.000 0.237996E-02 0.144854E-01 -0.319863E-02 0.557858E-02 -0.389253E-02 -0.144854E-01 0.113020E-09 14.250 0.228545E-02 0.137660E-01 -0.298191E-02 0.526736E-02 -0.349014E-02 -0.137660E-01 0.432237E-09 14.500 0.218296E-02 0.131038E-01 -0.279523E-02 0.497818E-02 -0.313609E-02 -0.131038E-01 0.705434E-09 14.750 0.208233E-02 0.124928E-01 -0.263093E-02 0.471326E-02 -0.282383E-02 -0.124928E-01 -0.430670E-09 15.000 0.198479E-02 0.119303E-01 -0.249022E-02 0.447502E-02 -0.255002E-02 -0.119303E-01 0.157088E-09 15.250 0.189652E-02 0.114037E-01 -0.235557E-02 0.425208E-02 -0.230882E-02 -0.114037E-01 0.267212E-09 15.500 0.181826E-02 0.109199E-01 -0.224750E-02 0.406576E-02 -0.210467E-02 -0.109199E-01 -0.128797E-08 15.750 0.174428E-02 0.104581E-01 -0.213539E-02 0.387970E-02 -0.191748E-02 -0.104582E-01 0.132490E-08 16.000 0.168075E-02 0.100321E-01 -0.202675E-02 0.370751E-02 -0.175030E-02 -0.100320E-01 0.654680E-10 16.250 0.161950E-02 0.961940E-02 -0.192427E-02 0.354377E-02 -0.159513E-02 -0.961941E-02 0.809543E-09 16.500 0.157438E-02 0.923356E-02 -0.182597E-02 0.340036E-02 -0.146992E-02 -0.923354E-02 0.108329E-08 16.750 0.153757E-02 0.885091E-02 -0.170674E-02 0.324431E-02 -0.135554E-02 -0.885091E-02 0.443640E-09 17.000 0.150350E-02 0.850879E-02 -0.159971E-02 0.310321E-02 -0.124352E-02 -0.850879E-02 0.747913E-09 17.250 0.145774E-02 0.817685E-02 -0.150680E-02 0.296455E-02 -0.113487E-02 -0.817685E-02 -0.290394E-09 17.500 0.139666E-02 0.786435E-02 -0.144187E-02 0.283853E-02 -0.102932E-02 -0.786436E-02 -0.171775E-08 18.000 0.134491E-02 0.733229E-02 -0.128985E-02 0.263475E-02 -0.873466E-03 -0.733228E-02 0.176590E-09 18.250 0.134829E-02 0.709521E-02 -0.119836E-02 0.254651E-02 -0.814918E-03 -0.709588E-02 0.787727E-09 18.500 0.135146E-02 0.685816E-02 -0.111217E-02 0.246365E-02 -0.762648E-03 -0.685812E-02 -0.867341E-09 18.750 0.136537E-02 0.665164E-02 -0.103268E-02 0.239805E-02 -0.719645E-03 -0.665168E-02 -0.195748E-09 19.000 0.138242E-02 0.648347E-02 -0.974610E-03 0.235688E-02 -0.676502E-03 -0.648345E-02 -0.856364E-10 19.250 0.141601E-02 0.636519E-02 -0.899214E-03 0.231521E-02 -0.643560E-03 -0.636521E-02 -0.100558E-08 19.500 0.146707E-02 0.630668E-02 -0.823818E-03 0.229089E-02 -0.611372E-03 -0.630657E-02 -0.243358E-08 19.750 0.153668E-02 0.628649E-02 -0.742772E-03 0.227944E-02 -0.577276E-03 -0.628650E-02 -0.448430E-08 20.000 0.162892E-02 0.630103E-02 -0.643722E-03 0.227257E-02 -0.549059E-03 -0.630107E-02 -0.261478E-08 S6 - EF NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 -0.141038E-01 0.755965E-02 -0.170561E-01 0.295227E-02 0.408745E-04 -0.755965E-02 -0.747622E-11 1.010 -0.143563E-01 0.742972E-02 -0.447212E-01 0.303647E-01 0.132174E-04 -0.742973E-02 -0.912958E-11 1.012 -0.143944E-01 0.742079E-02 -0.550820E-01 0.406876E-01 0.866654E-05 -0.742079E-02 -0.144086E-10 1.014 -0.143421E-01 0.738991E-02 -0.735282E-01 0.591861E-01 0.104158E-05 -0.738991E-02 0.127364E-11 1.016 -0.142962E-01 0.733116E-02 -0.108138E+00 0.938413E-01 -0.104058E-04 -0.733116E-02 0.529228E-10 1.018 -0.142593E-01 0.699854E-02 -0.239672E+00 0.225413E+00 -0.632888E-04 -0.699854E-02 0.739324E-11 1.020 -0.142420E-01 0.586683E-02 -0.976481E+00 0.962239E+00 -0.243494E-03 -0.586683E-02 -0.120133E-11 1.022 0.136932E-01 0.314025E-01 0.259473E+03 -0.259460E+03 0.618140E-02 -0.314026E-01 0.103708E-10 1.024 0.778935E-03 0.125900E+00 0.681951E-01 -0.674160E-01 0.202893E-01 -0.125900E+00 -0.973005E-11 1.026 0.595549E-03 0.125929E+00 -0.130537E-01 0.136493E-01 0.202860E-01 -0.125929E+00 -0.259129E-10 1.028 0.508486E-03 0.125887E+00 -0.265186E-01 0.270271E-01 0.202795E-01 -0.125887E+00 -0.146743E-10 1.030 0.444911E-03 0.125829E+00 -0.309073E-01 0.313522E-01 0.202724E-01 -0.125829E+00 -0.119798E-10 1.032 0.387009E-03 0.125764E+00 -0.328823E-01 0.332693E-01 0.202652E-01 -0.125764E+00 -0.104870E-10 1.034 0.344724E-03 0.125697E+00 -0.339932E-01 0.343379E-01 0.202579E-01 -0.125697E+00 -0.254828E-10 1.036 0.293421E-03 0.125627E+00 -0.346641E-01 0.349575E-01 0.202506E-01 -0.125627E+00 -0.109869E-10 1.038 0.258895E-03 0.125557E+00 -0.350769E-01 0.353358E-01 0.202433E-01 -0.125557E+00 -0.463477E-11 1.040 0.214728E-03 0.125484E+00 -0.353687E-01 0.355834E-01 0.202360E-01 -0.125484E+00 -0.465996E-11 1.042 0.176397E-03 0.125412E+00 -0.355854E-01 0.357618E-01 0.202286E-01 -0.125412E+00 -0.354870E-11 1.044 0.142402E-03 0.125339E+00 -0.357525E-01 0.358949E-01 0.202213E-01 -0.125339E+00 0.313396E-10 1.046 0.106503E-03 0.125266E+00 -0.358848E-01 0.359913E-01 0.202140E-01 -0.125266E+00 0.428948E-10 1.048 0.672547E-04 0.125190E+00 -0.359886E-01 0.360559E-01 0.202067E-01 -0.125190E+00 0.447195E-10 1.050 0.406452E-04 0.125117E+00 -0.360692E-01 0.361099E-01 0.201994E-01 -0.125117E+00 0.825672E-11 1.060 -0.119746E-03 0.124742E+00 -0.364130E-01 0.362933E-01 0.201631E-01 -0.124742E+00 0.108398E-11 1.070 -0.283601E-03 0.124368E+00 -0.367155E-01 0.364319E-01 0.201272E-01 -0.124368E+00 0.746958E-11 1.080 -0.468169E-03 0.123994E+00 -0.370582E-01 0.365900E-01 0.200916E-01 -0.123994E+00 -0.105355E-11 1.090 -0.662358E-03 0.123618E+00 -0.374181E-01 0.367557E-01 0.200565E-01 -0.123618E+00 -0.446218E-11 1.100 -0.842289E-03 0.123241E+00 -0.377476E-01 0.369053E-01 0.200217E-01 -0.123241E+00 -0.129435E-10 1.200 -0.227518E-02 0.119302E+00 -0.398657E-01 0.375905E-01 0.196955E-01 -0.119302E+00 0.229969E-11 1.300 -0.348389E-02 0.115167E+00 -0.416377E-01 0.381538E-01 0.194082E-01 -0.115167E+00 0.866791E-13 1.400 -0.502799E-02 0.110904E+00 -0.443759E-01 0.402754E-01 0.191519E-01 -0.110937E+00 0.402007E-06 1.500 -0.574663E-02 0.106419E+00 -0.449773E-01 0.392307E-01 0.189406E-01 -0.106419E+00 -0.226998E-11 1.600 -0.695842E-02 0.101784E+00 -0.470888E-01 0.401304E-01 0.187633E-01 -0.101784E+00 0.241544E-09 1.700 -0.823175E-02 0.969413E-01 -0.495261E-01 0.412943E-01 0.186288E-01 -0.969413E-01 -0.100493E-12 1.800 -0.974505E-02 0.918179E-01 -0.526125E-01 0.428675E-01 0.185381E-01 -0.918179E-01 0.541873E-12 1.900 -0.116227E-01 0.863397E-01 -0.567620E-01 0.451393E-01 0.184963E-01 -0.863397E-01 -0.894267E-11 2.000 -0.140660E-01 0.803998E-01 -0.625253E-01 0.484592E-01 0.185130E-01 -0.803998E-01 0.108749E-10 2.100 -0.173667E-01 0.738077E-01 -0.708653E-01 0.534987E-01 0.186012E-01 -0.738077E-01 0.102176E-10 2.200 -0.218924E-01 0.662605E-01 -0.830992E-01 0.612067E-01 0.187802E-01 -0.662605E-01 -0.676825E-11 2.300 -0.284514E-01 0.572728E-01 -0.102016E+00 0.735642E-01 0.190820E-01 -0.572728E-01 -0.399275E-11 2.400 -0.385208E-01 0.459777E-01 -0.132588E+00 0.940676E-01 0.195519E-01 -0.459777E-01 -0.781028E-10 2.500 -0.549251E-01 0.308649E-01 -0.185053E+00 0.130128E+00 0.202689E-01 -0.308649E-01 0.386388E-10 2.600 -0.835087E-01 0.894806E-02 -0.280997E+00 0.197488E+00 0.213714E-01 -0.894807E-02 -0.342675E-10 2.700 -0.136760E+00 -0.259064E-01 -0.461024E+00 0.324264E+00 0.230858E-01 0.259064E-01 -0.682847E-10 2.800 -0.235866E+00 -0.831527E-01 -0.724465E+00 0.488598E+00 0.255328E-01 0.831528E-01 -0.183246E-09 2.900 -0.373074E+00 -0.155577E+00 -0.743322E+00 0.370247E+00 0.277563E-01 0.155577E+00 0.103928E-10 3.000 -0.469562E+00 -0.210548E+00 -0.434735E+00 -0.348266E-01 0.289446E-01 0.210548E+00 0.394002E-11 3.100 -0.435602E+00 -0.238089E+00 -0.169398E+00 -0.266204E+00 0.302758E-01 0.238089E+00 -0.339067E-10 3.200 -0.235653E+00 -0.241452E+00 0.865186E-01 -0.322172E+00 0.318980E-01 0.241452E+00 -0.618954E-11 3.300 -0.158647E-01 -0.221862E+00 0.276518E+00 -0.292383E+00 0.328141E-01 0.221862E+00 0.100329E-09 3.400 0.881793E-01 -0.190685E+00 0.324592E+00 -0.236413E+00 0.327594E-01 0.190685E+00 0.554427E-11 3.500 0.107972E+00 -0.159500E+00 0.291533E+00 -0.183561E+00 0.321607E-01 0.159500E+00 0.267004E-10 3.600 0.969534E-01 -0.132969E+00 0.239255E+00 -0.142301E+00 0.313734E-01 0.132969E+00 -0.452725E-10 3.700 0.791828E-01 -0.111578E+00 0.190960E+00 -0.111777E+00 0.305638E-01 0.111578E+00 0.489191E-10 3.800 0.624293E-01 -0.946184E-01 0.151706E+00 -0.892764E-01 0.297874E-01 0.946184E-01 -0.224306E-10 3.900 0.485001E-01 -0.811435E-01 0.121024E+00 -0.725239E-01 0.290465E-01 0.811435E-01 -0.457670E-11 4.000 0.373981E-01 -0.703744E-01 0.972637E-01 -0.598657E-01 0.283421E-01 0.703744E-01 -0.136163E-11 4.100 0.286631E-01 -0.617069E-01 0.787085E-01 -0.500454E-01 0.276675E-01 0.617069E-01 0.414546E-10 4.200 0.217977E-01 -0.546987E-01 0.639265E-01 -0.421288E-01 0.270111E-01 0.546987E-01 0.580021E-11 4.300 0.163636E-01 -0.490318E-01 0.518255E-01 -0.354619E-01 0.263599E-01 0.490318E-01 0.198768E-11 4.400 0.120170E-01 -0.444785E-01 0.414909E-01 -0.294739E-01 0.256945E-01 0.444785E-01 -0.223995E-09 4.500 0.847903E-02 -0.409080E-01 0.322140E-01 -0.237350E-01 0.249996E-01 0.409081E-01 -0.522901E-09 4.600 0.552747E-02 -0.382381E-01 0.233879E-01 -0.178605E-01 0.242487E-01 0.382381E-01 -0.346256E-09 4.700 0.296768E-02 -0.364697E-01 0.144940E-01 -0.115264E-01 0.234223E-01 0.364697E-01 -0.970939E-10 4.800 0.666632E-03 -0.356038E-01 0.501418E-02 -0.434755E-02 0.224704E-01 0.356038E-01 -0.124715E-09 4.900 -0.152130E-02 -0.357461E-01 -0.544489E-02 0.392360E-02 0.213616E-01 0.357461E-01 -0.480710E-09 5.000 -0.371021E-02 -0.370065E-01 -0.171844E-01 0.134742E-01 0.200374E-01 0.370066E-01 -0.599979E-09 5.100 -0.603387E-02 -0.395536E-01 -0.301681E-01 0.241342E-01 0.184425E-01 0.395536E-01 -0.226537E-10 5.200 -0.856715E-02 -0.434796E-01 -0.435992E-01 0.350320E-01 0.165058E-01 0.434796E-01 0.942067E-10 5.300 -0.113398E-01 -0.487491E-01 -0.553778E-01 0.440379E-01 0.141804E-01 0.487491E-01 0.930206E-10 5.400 -0.142695E-01 -0.550108E-01 -0.620510E-01 0.477815E-01 0.114830E-01 0.550108E-01 0.405826E-10 5.500 -0.171549E-01 -0.615689E-01 -0.603579E-01 0.432030E-01 0.854486E-02 0.615689E-01 -0.215296E-09 5.600 -0.197102E-01 -0.674963E-01 -0.501112E-01 0.304009E-01 0.560380E-02 0.674963E-01 0.139197E-10 5.700 -0.217107E-01 -0.720612E-01 -0.348701E-01 0.131595E-01 0.291143E-02 0.720612E-01 0.463383E-11 5.800 -0.230833E-01 -0.749888E-01 -0.191012E-01 -0.398219E-02 0.625291E-03 0.749888E-01 0.738325E-11 5.900 -0.238737E-01 -0.763760E-01 -0.567177E-02 -0.182020E-01 -0.121175E-02 0.763760E-01 0.488265E-10 6.000 -0.242056E-01 -0.765323E-01 0.467917E-02 -0.288848E-01 -0.264175E-02 0.765323E-01 -0.511560E-10 6.200 -0.239344E-01 -0.743373E-01 0.174710E-01 -0.414054E-01 -0.454991E-02 0.743373E-01 0.726113E-10 6.400 -0.229551E-01 -0.702640E-01 0.234032E-01 -0.463583E-01 -0.558428E-02 0.702640E-01 0.488902E-10 6.600 -0.216508E-01 -0.653822E-01 0.255418E-01 -0.471926E-01 -0.605996E-02 0.653822E-01 -0.236224E-10 6.800 -0.202267E-01 -0.602843E-01 0.255585E-01 -0.457852E-01 -0.616552E-02 0.602843E-01 0.460328E-11 7.000 -0.187973E-01 -0.553022E-01 0.243912E-01 -0.431885E-01 -0.602312E-02 0.553022E-01 0.735421E-11 7.200 -0.174271E-01 -0.506156E-01 0.226074E-01 -0.400345E-01 -0.571902E-02 0.506156E-01 0.110722E-10 7.400 -0.161517E-01 -0.463114E-01 0.205697E-01 -0.367213E-01 -0.531695E-02 0.463114E-01 0.341568E-10 7.600 -0.149875E-01 -0.424176E-01 0.184992E-01 -0.334867E-01 -0.486326E-02 0.424176E-01 0.476086E-10 7.800 -0.139402E-01 -0.389271E-01 0.165240E-01 -0.304642E-01 -0.439096E-02 0.389271E-01 0.623670E-10 8.000 -0.130065E-01 -0.358160E-01 0.147070E-01 -0.277135E-01 -0.392132E-02 0.358160E-01 0.174998E-10 8.250 -0.119900E-01 -0.324072E-01 0.126943E-01 -0.246844E-01 -0.335906E-02 0.324072E-01 -0.787045E-10 8.500 -0.111253E-01 -0.294651E-01 0.109679E-01 -0.220932E-01 -0.283756E-02 0.294651E-01 -0.130703E-10 8.750 -0.103941E-01 -0.269212E-01 0.950477E-02 -0.198989E-01 -0.236257E-02 0.269212E-01 0.653681E-10 9.000 -0.977820E-02 -0.247134E-01 0.827504E-02 -0.180532E-01 -0.193438E-02 0.247134E-01 0.372923E-10 9.250 -0.925986E-02 -0.227866E-01 0.725061E-02 -0.165105E-01 -0.155006E-02 0.227866E-01 -0.142344E-10 9.500 -0.882209E-02 -0.210924E-01 0.640845E-02 -0.152305E-01 -0.120495E-02 0.210924E-01 -0.102116E-09 9.750 -0.844787E-02 -0.195869E-01 0.573104E-02 -0.141789E-01 -0.893343E-03 0.195869E-01 -0.881559E-12 10.000 -0.811950E-02 -0.182305E-01 0.520663E-02 -0.133261E-01 -0.609184E-03 0.182305E-01 0.379276E-10 10.250 -0.781758E-02 -0.169858E-01 0.482819E-02 -0.126458E-01 -0.346112E-03 0.169858E-01 -0.546109E-10 10.500 -0.751987E-02 -0.158170E-01 0.459295E-02 -0.121128E-01 -0.977283E-04 0.158170E-01 -0.664706E-10 10.600 -0.739628E-02 -0.153628E-01 0.453928E-02 -0.119356E-01 -0.109491E-05 0.153628E-01 -0.527136E-10 10.700 -0.726724E-02 -0.149126E-01 0.450946E-02 -0.117767E-01 0.946260E-04 0.149126E-01 0.998503E-11 10.800 -0.713094E-02 -0.144642E-01 0.450294E-02 -0.116339E-01 0.189791E-03 0.144642E-01 0.237001E-10 10.900 -0.698493E-02 -0.140153E-01 0.452136E-02 -0.115063E-01 0.284712E-03 0.140153E-01 0.572887E-10 11.000 -0.682737E-02 -0.135633E-01 0.456408E-02 -0.113914E-01 0.379921E-03 0.135633E-01 0.789660E-10 11.100 -0.665571E-02 -0.131054E-01 0.463243E-02 -0.112881E-01 0.475741E-03 0.131054E-01 0.155174E-10 11.200 -0.646622E-02 -0.126394E-01 0.472926E-02 -0.111955E-01 0.572268E-03 0.126394E-01 0.409865E-11 11.300 -0.625774E-02 -0.121623E-01 0.485233E-02 -0.111101E-01 0.670348E-03 0.121623E-01 0.626380E-10 11.400 -0.602676E-02 -0.116713E-01 0.500430E-02 -0.110311E-01 0.770120E-03 0.116713E-01 0.104871E-09 11.500 -0.577030E-02 -0.111635E-01 0.518649E-02 -0.109568E-01 0.871959E-03 0.111635E-01 0.172952E-09 11.600 -0.548542E-02 -0.106364E-01 0.540025E-02 -0.108857E-01 0.975850E-03 0.106364E-01 0.173025E-09 11.700 -0.516865E-02 -0.100855E-01 0.564747E-02 -0.108161E-01 0.108283E-02 0.100855E-01 0.124044E-09 11.800 -0.481696E-02 -0.950831E-02 0.592982E-02 -0.107468E-01 0.119284E-02 0.950831E-02 0.577622E-10 11.900 -0.442702E-02 -0.890033E-02 0.624869E-02 -0.106757E-01 0.130649E-02 0.890033E-02 0.328926E-09 12.000 -0.399580E-02 -0.825803E-02 0.660588E-02 -0.106017E-01 0.142377E-02 0.825803E-02 -0.133364E-09 12.250 -0.271633E-02 -0.648029E-02 0.767997E-02 -0.103963E-01 0.173561E-02 0.648029E-02 -0.263868E-10 12.500 -0.111255E-02 -0.439926E-02 0.903420E-02 -0.101468E-01 0.207841E-02 0.439926E-02 0.503498E-11 12.750 0.848060E-03 -0.194290E-02 0.106754E-01 -0.982730E-02 0.246079E-02 0.194290E-02 0.447598E-10 13.000 0.318067E-02 0.971034E-03 0.125992E-01 -0.941852E-02 0.288995E-02 -0.971034E-03 0.859416E-10 13.250 0.588190E-02 0.442774E-02 0.147853E-01 -0.890345E-02 0.337255E-02 -0.442774E-02 0.729312E-10 13.500 0.889272E-02 0.847719E-02 0.171674E-01 -0.827467E-02 0.391072E-02 -0.847719E-02 -0.640639E-10 13.750 0.120694E-01 0.131385E-01 0.195916E-01 -0.752219E-02 0.450581E-02 -0.131385E-01 -0.122212E-11 14.000 0.152044E-01 0.184083E-01 0.218448E-01 -0.664037E-02 0.515476E-02 -0.184083E-01 -0.842885E-10 14.250 0.180334E-01 0.242243E-01 0.236691E-01 -0.563572E-02 0.584727E-02 -0.242243E-01 -0.569537E-11 14.500 0.202494E-01 0.304319E-01 0.247754E-01 -0.452607E-02 0.656655E-02 -0.304319E-01 -0.259136E-10 14.750 0.216344E-01 0.368350E-01 0.249802E-01 -0.334586E-02 0.728936E-02 -0.368350E-01 0.104921E-10 15.000 0.220979E-01 0.431932E-01 0.242337E-01 -0.213587E-02 0.799091E-02 -0.431932E-01 -0.493598E-10 15.250 0.217281E-01 0.492546E-01 0.226725E-01 -0.944400E-03 0.864702E-02 -0.492546E-01 -0.364572E-11 15.500 0.207206E-01 0.548647E-01 0.205264E-01 0.194200E-03 0.924348E-02 -0.548647E-01 0.102090E-09 15.750 0.193570E-01 0.598661E-01 0.181124E-01 0.124458E-02 0.976913E-02 -0.598661E-01 -0.265218E-10 16.000 0.178511E-01 0.642505E-01 0.156533E-01 0.219781E-02 0.102259E-01 -0.642505E-01 -0.500675E-10 16.250 0.163846E-01 0.680034E-01 0.133419E-01 0.304273E-02 0.106154E-01 -0.680034E-01 -0.640033E-10 16.500 0.150455E-01 0.711616E-01 0.112644E-01 0.378112E-02 0.109432E-01 -0.711616E-01 -0.185386E-10 16.750 0.138790E-01 0.737987E-01 0.945621E-02 0.442279E-02 0.112193E-01 -0.737987E-01 -0.203315E-10 17.000 0.128845E-01 0.760152E-01 0.789898E-02 0.498554E-02 0.114550E-01 -0.760152E-01 -0.998171E-11 17.250 0.120605E-01 0.778579E-01 0.658606E-02 0.547448E-02 0.116547E-01 -0.778579E-01 -0.995197E-12 17.500 0.113841E-01 0.793949E-01 0.548072E-02 0.590336E-02 0.118268E-01 -0.793949E-01 0.207278E-10 18.000 0.103897E-01 0.817569E-01 0.377623E-02 0.661348E-02 0.121056E-01 -0.817569E-01 -0.131418E-10 18.250 0.100395E-01 0.826451E-01 0.313366E-02 0.690589E-02 0.122186E-01 -0.826451E-01 -0.222844E-11 18.500 0.976697E-02 0.833763E-01 0.260221E-02 0.716476E-02 0.123185E-01 -0.833763E-01 -0.103376E-10 18.750 0.955509E-02 0.839830E-01 0.215981E-02 0.739528E-02 0.124076E-01 -0.839830E-01 -0.712624E-11 19.000 0.939314E-02 0.844895E-01 0.179132E-02 0.760182E-02 0.124874E-01 -0.844895E-01 0.341989E-11 19.250 0.927426E-02 0.849128E-01 0.148283E-02 0.779143E-02 0.125615E-01 -0.849128E-01 0.560141E-12 19.500 0.919108E-02 0.852675E-01 0.122466E-02 0.796642E-02 0.126308E-01 -0.852675E-01 0.896440E-11 19.750 0.913598E-02 0.855646E-01 0.101088E-02 0.812510E-02 0.126943E-01 -0.855646E-01 0.203408E-10 20.000 0.910608E-02 0.858111E-01 0.834932E-03 0.827115E-02 0.127541E-01 -0.858111E-01 0.811945E-11 S6 - GK NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 0.984780E-02 -0.677115E-02 0.346843E-01 -0.248365E-01 0.229914E-04 0.677115E-02 0.551860E-11 1.010 0.791634E-02 -0.654093E-02 0.900621E-01 -0.821458E-01 0.586026E-04 0.654093E-02 0.697995E-11 1.012 0.773231E-02 -0.652531E-02 0.111478E+00 -0.103746E+00 0.623080E-04 0.652531E-02 0.938944E-11 1.014 0.761415E-02 -0.646155E-02 0.150157E+00 -0.142543E+00 0.674457E-04 0.646155E-02 -0.458550E-12 1.016 0.903224E-02 -0.630714E-02 0.224296E+00 -0.215263E+00 0.673963E-04 0.630714E-02 -0.292613E-10 1.018 0.887237E-02 -0.560376E-02 0.500329E+00 -0.491457E+00 0.112398E-03 0.560376E-02 -0.525633E-11 1.020 0.822369E-02 -0.322724E-02 0.204615E+01 -0.203792E+01 0.269797E-03 0.322724E-02 0.625013E-12 1.022 -0.732435E-02 -0.745983E-01 -0.539015E+03 0.539008E+03 -0.541247E-02 0.745983E-01 -0.577215E-11 1.024 -0.327477E-02 -0.264617E+00 -0.534884E-01 0.502135E-01 -0.175727E-01 0.264617E+00 0.537856E-11 1.026 -0.300869E-02 -0.264582E+00 0.504560E-01 -0.534646E-01 -0.175710E-01 0.264582E+00 0.159708E-10 1.028 -0.262003E-02 -0.264459E+00 0.664090E-01 -0.690291E-01 -0.175670E-01 0.264459E+00 0.881671E-11 1.030 -0.138262E-02 -0.264317E+00 0.724429E-01 -0.738256E-01 -0.175625E-01 0.264317E+00 0.744440E-11 1.032 0.752496E-02 -0.264157E+00 0.833683E-01 -0.758433E-01 -0.175573E-01 0.264157E+00 0.584649E-11 1.034 0.729877E+00 -0.263770E+00 0.806381E+00 -0.765018E-01 -0.175360E-01 0.263770E+00 0.162122E-10 1.036 -0.516998E+01 0.738386E-02 -0.516200E+01 -0.797282E-02 0.458550E-03 -0.738386E-02 -0.339601E-12 1.038 -0.828683E+00 0.337280E-02 -0.821450E+00 -0.723276E-02 0.184385E-03 -0.337281E-02 -0.949840E-13 1.040 -0.326870E+00 0.238976E-02 -0.320524E+00 -0.634580E-02 0.114218E-03 -0.238976E-02 0.159935E-12 1.042 -0.173926E+00 0.194782E-02 -0.168284E+00 -0.564185E-02 0.806794E-04 -0.194782E-02 -0.100257E-12 1.044 -0.108659E+00 0.170941E-02 -0.103570E+00 -0.508843E-02 0.610449E-04 -0.170941E-02 -0.825279E-12 1.046 -0.736989E-01 0.155026E-02 -0.689652E-01 -0.473365E-02 0.478598E-04 -0.155026E-02 -0.830375E-12 1.048 -0.535482E-01 0.144586E-02 -0.489919E-01 -0.455629E-02 0.394545E-04 -0.144586E-02 -0.203938E-12 1.050 -0.403894E-01 0.136864E-02 -0.360268E-01 -0.436259E-02 0.326211E-04 -0.136864E-02 -0.482049E-12 1.060 -0.138099E-01 0.118012E-02 -0.982595E-02 -0.398391E-02 0.153470E-04 -0.118012E-02 -0.219695E-12 1.070 -0.599343E-02 0.112423E-02 -0.214731E-02 -0.384613E-02 0.835860E-05 -0.112423E-02 0.359887E-13 1.080 -0.255739E-02 0.112317E-02 0.108923E-02 -0.364662E-02 0.226039E-05 -0.112317E-02 0.301177E-12 1.090 -0.630759E-03 0.114573E-02 0.275934E-02 -0.339011E-02 -0.422001E-05 -0.114573E-02 -0.297959E-12 1.100 0.583455E-03 0.118402E-02 0.370966E-02 -0.312620E-02 -0.117144E-04 -0.118402E-02 -0.404699E-11 1.200 0.394044E-02 0.174345E-02 0.680853E-02 -0.286809E-02 -0.282233E-04 -0.174345E-02 0.796040E-13 1.300 0.577207E-02 0.253692E-02 0.921111E-02 -0.343904E-02 -0.375264E-04 -0.253692E-02 -0.529955E-12 1.400 0.662906E-02 0.359652E-02 0.113978E-01 -0.418037E-02 -0.394937E-04 -0.361605E-02 0.253288E-06 1.500 0.986263E-02 0.495497E-02 0.146030E-01 -0.474035E-02 -0.745825E-04 -0.495497E-02 0.516634E-12 1.600 0.128901E-01 0.669116E-02 0.190102E-01 -0.612009E-02 -0.102612E-03 -0.669116E-02 0.574588E-10 1.700 0.168097E-01 0.889378E-02 0.250302E-01 -0.822043E-02 -0.134345E-03 -0.889378E-02 -0.335529E-11 1.800 0.219937E-01 0.117383E-01 0.332124E-01 -0.112188E-01 -0.171584E-03 -0.117383E-01 -0.435882E-11 1.900 0.291181E-01 0.155770E-01 0.448729E-01 -0.157548E-01 -0.219794E-03 -0.155770E-01 0.409702E-11 2.000 0.391214E-01 0.208189E-01 0.617608E-01 -0.226394E-01 -0.285067E-03 -0.208189E-01 0.328126E-12 2.100 0.540892E-01 0.281197E-01 0.884289E-01 -0.343397E-01 -0.370298E-03 -0.281197E-01 0.672357E-11 2.200 0.773884E-01 0.386232E-01 0.131375E+00 -0.539863E-01 -0.493778E-03 -0.386232E-01 0.124658E-11 2.300 0.115061E+00 0.544395E-01 0.203299E+00 -0.882379E-01 -0.691904E-03 -0.544395E-01 0.155083E-10 2.400 0.179009E+00 0.793872E-01 0.329101E+00 -0.150092E+00 -0.103119E-02 -0.793872E-01 -0.623356E-11 2.500 0.291365E+00 0.120630E+00 0.560025E+00 -0.268660E+00 -0.164698E-02 -0.120630E+00 0.455111E-11 2.600 0.487362E+00 0.192449E+00 0.994067E+00 -0.506705E+00 -0.285663E-02 -0.192449E+00 0.301843E-10 2.700 0.772627E+00 0.320815E+00 0.173761E+01 -0.964980E+00 -0.538397E-02 -0.320815E+00 -0.268446E-10 2.800 0.867559E+00 0.523162E+00 0.231426E+01 -0.144670E+01 -0.104613E-01 -0.523162E+00 -0.376935E-09 2.900 0.160673E+00 0.682586E+00 0.820241E+00 -0.659567E+00 -0.175181E-01 -0.682586E+00 -0.826296E-11 3.000 -0.690739E+00 0.634240E+00 -0.127821E+01 0.587469E+00 -0.217195E-01 -0.634240E+00 -0.654485E-10 3.100 -0.944868E+00 0.468857E+00 -0.172201E+01 0.777140E+00 -0.208231E-01 -0.468857E+00 0.368366E-10 3.200 -0.839548E+00 0.308605E+00 -0.140625E+01 0.566699E+00 -0.166190E-01 -0.308605E+00 0.100772E-09 3.300 -0.583337E+00 0.190876E+00 -0.947040E+00 0.363702E+00 -0.116550E-01 -0.190876E+00 -0.267085E-09 3.400 -0.350681E+00 0.115456E+00 -0.585700E+00 0.235019E+00 -0.765936E-02 -0.115456E+00 -0.256266E-10 3.500 -0.203755E+00 0.689998E-01 -0.363992E+00 0.160237E+00 -0.489197E-02 -0.689998E-01 -0.743428E-11 3.600 -0.120614E+00 0.395981E-01 -0.236805E+00 0.116192E+00 -0.301541E-02 -0.395981E-01 0.467686E-10 3.700 -0.733977E-01 0.199840E-01 -0.162076E+00 0.886787E-01 -0.169462E-02 -0.199840E-01 -0.462326E-11 3.800 -0.455122E-01 0.628167E-02 -0.115690E+00 0.701783E-01 -0.722227E-03 -0.628167E-02 0.553402E-11 3.900 -0.281401E-01 -0.363958E-02 -0.847476E-01 0.566075E-01 0.234360E-04 0.363958E-02 -0.122884E-11 4.000 -0.166790E-01 -0.109497E-01 -0.623205E-01 0.456416E-01 0.611782E-03 0.109497E-01 0.897192E-12 4.100 -0.865446E-02 -0.162888E-01 -0.444864E-01 0.358319E-01 0.108325E-02 0.162888E-01 -0.950805E-11 4.200 -0.270229E-02 -0.199922E-01 -0.289174E-01 0.262151E-01 0.145655E-02 0.199922E-01 -0.968118E-11 4.300 0.193556E-02 -0.222065E-01 -0.141433E-01 0.160788E-01 0.173976E-02 0.222065E-01 -0.862905E-11 4.400 0.568171E-02 -0.229605E-01 0.845509E-03 0.483620E-02 0.193134E-02 0.229605E-01 0.507887E-10 4.500 0.874401E-02 -0.221901E-01 0.167296E-01 -0.798556E-02 0.202359E-02 0.221901E-01 0.111006E-09 4.600 0.111896E-01 -0.197633E-01 0.340858E-01 -0.228962E-01 0.200228E-02 0.197633E-01 0.619714E-10 4.700 0.129846E-01 -0.154757E-01 0.533778E-01 -0.403932E-01 0.184882E-02 0.154757E-01 0.538099E-11 4.800 0.140534E-01 -0.910379E-02 0.751911E-01 -0.611376E-01 0.154770E-02 0.910380E-02 0.412783E-10 4.900 0.142652E-01 -0.335768E-03 0.100004E+00 -0.857385E-01 0.107766E-02 0.335769E-03 0.148384E-09 5.000 0.134712E-01 0.111509E-01 0.128091E+00 -0.114620E+00 0.420102E-03 -0.111509E-01 0.177215E-09 5.100 0.114953E-01 0.257593E-01 0.158931E+00 -0.147436E+00 -0.440337E-03 -0.257593E-01 -0.943352E-10 5.200 0.823170E-02 0.436809E-01 0.190200E+00 -0.181968E+00 -0.149122E-02 -0.436809E-01 -0.238880E-10 5.300 0.368343E-02 0.647352E-01 0.216210E+00 -0.212527E+00 -0.268032E-02 -0.647352E-01 -0.235136E-10 5.400 -0.189827E-02 0.879018E-01 0.227773E+00 -0.229671E+00 -0.388898E-02 -0.879018E-01 -0.904215E-11 5.500 -0.793740E-02 0.111239E+00 0.216400E+00 -0.224337E+00 -0.493793E-02 -0.111239E+00 0.282034E-10 5.600 -0.136219E-01 0.132221E+00 0.182037E+00 -0.195659E+00 -0.564110E-02 -0.132221E+00 0.190291E-11 5.700 -0.182277E-01 0.148905E+00 0.134963E+00 -0.153191E+00 -0.589250E-02 -0.148905E+00 -0.534898E-11 5.800 -0.213872E-01 0.160650E+00 0.878934E-01 -0.109281E+00 -0.570049E-02 -0.160650E+00 -0.420059E-11 5.900 -0.230911E-01 0.167879E+00 0.488694E-01 -0.719606E-01 -0.514613E-02 -0.167879E+00 -0.915013E-11 6.000 -0.235505E-01 0.171588E+00 0.197774E-01 -0.433279E-01 -0.433391E-02 -0.171588E+00 0.988419E-11 6.200 -0.217988E-01 0.172193E+00 -0.136985E-01 -0.810029E-02 -0.226844E-02 -0.172193E+00 -0.996743E-11 6.400 -0.179856E-01 0.168166E+00 -0.267947E-01 0.880909E-02 0.293858E-04 -0.168166E+00 -0.990748E-11 6.600 -0.133330E-01 0.162538E+00 -0.298885E-01 0.165555E-01 0.232431E-02 -0.162538E+00 0.404395E-11 6.800 -0.855906E-02 0.156752E+00 -0.284136E-01 0.198545E-01 0.449611E-02 -0.156752E+00 -0.852598E-12 7.000 -0.405577E-02 0.151449E+00 -0.250632E-01 0.210074E-01 0.648190E-02 -0.151449E+00 0.645363E-12 7.200 -0.109292E-04 0.146866E+00 -0.211586E-01 0.211477E-01 0.825272E-02 -0.146866E+00 0.149602E-11 7.400 0.351151E-02 0.143050E+00 -0.173476E-01 0.208591E-01 0.980195E-02 -0.143050E+00 0.713019E-11 7.600 0.651881E-02 0.139952E+00 -0.139124E-01 0.204312E-01 0.111374E-01 -0.139952E+00 0.540931E-11 7.800 0.905442E-02 0.137490E+00 -0.109496E-01 0.200040E-01 0.122752E-01 -0.137490E+00 -0.339105E-11 8.000 0.111757E-01 0.135570E+00 -0.845751E-02 0.196333E-01 0.132355E-01 -0.135570E+00 0.165427E-11 8.250 0.133364E-01 0.133796E+00 -0.593608E-02 0.192725E-01 0.142179E-01 -0.133796E+00 -0.130130E-12 8.500 0.150517E-01 0.132579E+00 -0.396336E-02 0.190150E-01 0.149940E-01 -0.132579E+00 0.457616E-11 8.750 0.164127E-01 0.131797E+00 -0.242363E-02 0.188363E-01 0.155977E-01 -0.131797E+00 -0.632301E-11 9.000 0.174933E-01 0.131356E+00 -0.121809E-02 0.187114E-01 0.160577E-01 -0.131356E+00 -0.986944E-11 9.250 0.183524E-01 0.131183E+00 -0.269212E-03 0.186216E-01 0.163977E-01 -0.131183E+00 -0.754949E-12 9.500 0.190364E-01 0.131221E+00 0.480802E-03 0.185556E-01 0.166378E-01 -0.131221E+00 0.451727E-11 9.750 0.195825E-01 0.131425E+00 0.107372E-02 0.185088E-01 0.167945E-01 -0.131425E+00 -0.446919E-12 10.000 0.200208E-01 0.131761E+00 0.153892E-02 0.184818E-01 0.168822E-01 -0.131761E+00 0.195506E-12 10.250 0.203763E-01 0.132199E+00 0.189721E-02 0.184790E-01 0.169132E-01 -0.132199E+00 0.784611E-11 10.500 0.206702E-01 0.132714E+00 0.216421E-02 0.185060E-01 0.168985E-01 -0.132714E+00 -0.134368E-12 10.600 0.207747E-01 0.132937E+00 0.224824E-02 0.185264E-01 0.168820E-01 -0.132937E+00 0.287940E-11 10.700 0.208733E-01 0.133167E+00 0.232043E-02 0.185529E-01 0.168604E-01 -0.133167E+00 -0.709550E-12 10.800 0.209671E-01 0.133405E+00 0.238154E-02 0.185855E-01 0.168341E-01 -0.133405E+00 -0.529971E-11 10.900 0.210568E-01 0.133648E+00 0.243171E-02 0.186251E-01 0.168037E-01 -0.133648E+00 -0.595414E-11 11.000 0.211435E-01 0.133895E+00 0.247247E-02 0.186710E-01 0.167697E-01 -0.133895E+00 -0.669827E-11 11.100 0.212278E-01 0.134146E+00 0.250426E-02 0.187235E-01 0.167326E-01 -0.134146E+00 -0.250461E-11 11.200 0.213103E-01 0.134400E+00 0.252641E-02 0.187839E-01 0.166925E-01 -0.134400E+00 0.204321E-11 11.300 0.213920E-01 0.134656E+00 0.254150E-02 0.188505E-01 0.166503E-01 -0.134656E+00 -0.157308E-11 11.400 0.214731E-01 0.134912E+00 0.254918E-02 0.189239E-01 0.166061E-01 -0.134912E+00 -0.492180E-11 11.500 0.215542E-01 0.135169E+00 0.254986E-02 0.190043E-01 0.165603E-01 -0.135169E+00 -0.163652E-10 11.600 0.216350E-01 0.135427E+00 0.254391E-02 0.190911E-01 0.165127E-01 -0.135427E+00 -0.933825E-11 11.700 0.217166E-01 0.135682E+00 0.253151E-02 0.191851E-01 0.164644E-01 -0.135682E+00 -0.835053E-11 11.800 0.217987E-01 0.135937E+00 0.251268E-02 0.192860E-01 0.164149E-01 -0.135937E+00 -0.481944E-11 11.900 0.218812E-01 0.136188E+00 0.248790E-02 0.193933E-01 0.163649E-01 -0.136188E+00 -0.265843E-10 12.000 0.219637E-01 0.136437E+00 0.245646E-02 0.195072E-01 0.163142E-01 -0.136437E+00 0.811289E-11 12.250 0.221659E-01 0.137044E+00 0.234540E-02 0.198205E-01 0.161839E-01 -0.137044E+00 0.300999E-11 12.500 0.223508E-01 0.137619E+00 0.217767E-02 0.201731E-01 0.160484E-01 -0.137619E+00 -0.323976E-12 12.750 0.224993E-01 0.138143E+00 0.193887E-02 0.205604E-01 0.159075E-01 -0.138143E+00 -0.505831E-11 13.000 0.225790E-01 0.138593E+00 0.160133E-02 0.209777E-01 0.157583E-01 -0.138593E+00 -0.153512E-10 13.250 0.225445E-01 0.138938E+00 0.112226E-02 0.214222E-01 0.155937E-01 -0.138938E+00 -0.151266E-10 13.500 0.223419E-01 0.139140E+00 0.450566E-03 0.218914E-01 0.154057E-01 -0.139140E+00 0.143829E-10 13.750 0.219276E-01 0.139145E+00 -0.446442E-03 0.223740E-01 0.151880E-01 -0.139145E+00 0.181100E-11 14.000 0.212781E-01 0.138890E+00 -0.157876E-02 0.228569E-01 0.149332E-01 -0.138890E+00 0.232274E-10 14.250 0.204133E-01 0.138320E+00 -0.290973E-02 0.233230E-01 0.146338E-01 -0.138320E+00 0.223697E-11 14.500 0.194286E-01 0.137391E+00 -0.432457E-02 0.237531E-01 0.142901E-01 -0.137391E+00 0.891146E-11 14.750 0.184676E-01 0.136102E+00 -0.566484E-02 0.241325E-01 0.139044E-01 -0.136102E+00 -0.514716E-11 15.000 0.176995E-01 0.134492E+00 -0.674778E-02 0.244473E-01 0.134868E-01 -0.134492E+00 0.252360E-10 15.250 0.172557E-01 0.132650E+00 -0.743939E-02 0.246951E-01 0.130535E-01 -0.132650E+00 -0.465121E-12 15.500 0.171897E-01 0.130674E+00 -0.769086E-02 0.248805E-01 0.126191E-01 -0.130674E+00 -0.620479E-10 15.750 0.174669E-01 0.128692E+00 -0.754759E-02 0.250144E-01 0.122015E-01 -0.128692E+00 0.177307E-10 16.000 0.180078E-01 0.126779E+00 -0.710163E-02 0.251095E-01 0.118101E-01 -0.126779E+00 0.353666E-10 16.250 0.187074E-01 0.125013E+00 -0.647149E-02 0.251789E-01 0.114533E-01 -0.125013E+00 0.479659E-10 16.500 0.194816E-01 0.123439E+00 -0.575264E-02 0.252342E-01 0.111353E-01 -0.123439E+00 0.141529E-10 16.750 0.202628E-01 0.122067E+00 -0.502107E-02 0.252838E-01 0.108549E-01 -0.122067E+00 0.150921E-10 17.000 0.210153E-01 0.120873E+00 -0.431582E-02 0.253311E-01 0.106077E-01 -0.120873E+00 0.775532E-11 17.250 0.217104E-01 0.119857E+00 -0.366931E-02 0.253797E-01 0.103924E-01 -0.119857E+00 0.752413E-12 17.500 0.223419E-01 0.118996E+00 -0.308921E-02 0.254311E-01 0.102045E-01 -0.118996E+00 -0.193524E-10 18.000 0.234120E-01 0.117658E+00 -0.213769E-02 0.255497E-01 0.989745E-02 -0.117658E+00 0.112710E-10 18.250 0.238535E-01 0.117157E+00 -0.176508E-02 0.256186E-01 0.977356E-02 -0.117157E+00 0.320213E-11 18.500 0.242397E-01 0.116749E+00 -0.145231E-02 0.256921E-01 0.966629E-02 -0.116749E+00 0.974144E-11 18.750 0.245798E-01 0.116417E+00 -0.119008E-02 0.257698E-01 0.957268E-02 -0.116417E+00 0.671535E-11 19.000 0.248798E-01 0.116145E+00 -0.971351E-03 0.258512E-01 0.949072E-02 -0.116145E+00 -0.193908E-11 19.250 0.251462E-01 0.115919E+00 -0.790395E-03 0.259366E-01 0.941877E-02 -0.115919E+00 -0.115278E-11 19.500 0.253835E-01 0.115731E+00 -0.642405E-03 0.260259E-01 0.935537E-02 -0.115731E+00 -0.892710E-11 19.750 0.255955E-01 0.115577E+00 -0.522444E-03 0.261180E-01 0.929947E-02 -0.115577E+00 -0.210666E-10 20.000 0.257852E-01 0.115451E+00 -0.427345E-03 0.262126E-01 0.925018E-02 -0.115451E+00 -0.730820E-11 S6 - H NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 0.251541E-01 0.456626E-01 0.527080E-01 -0.275539E-01 -0.136711E-01 -0.456626E-01 -0.428648E-11 1.010 0.276078E-01 0.468732E-01 0.577235E-01 -0.301156E-01 -0.136694E-01 -0.468732E-01 0.529702E-11 1.012 0.305457E-01 0.468106E-01 0.635995E-01 -0.330538E-01 -0.136677E-01 -0.468106E-01 -0.323174E-12 1.014 0.345732E-01 0.464018E-01 0.715975E-01 -0.370243E-01 -0.136639E-01 -0.464018E-01 0.849212E-11 1.016 0.394527E-01 0.454467E-01 0.809739E-01 -0.415212E-01 -0.136579E-01 -0.454467E-01 0.213851E-11 1.018 0.405685E-01 0.449309E-01 0.823842E-01 -0.418157E-01 -0.136538E-01 -0.449309E-01 0.819719E-11 1.020 0.406851E-01 0.445823E-01 0.757234E-01 -0.350384E-01 -0.136494E-01 -0.445823E-01 0.524868E-11 1.022 -0.472007E-01 -0.421837E-01 0.294673E+02 -0.295144E+02 0.129617E-01 0.421837E-01 -0.177244E-10 1.024 -0.515445E-01 -0.830889E-03 0.384400E+00 -0.435945E+00 0.209610E-03 0.830889E-03 -0.441715E-11 1.026 -0.863060E-01 -0.574113E-03 0.239927E-01 -0.110299E+00 0.585719E-04 0.574111E-03 0.410422E-11 1.028 -0.158726E+00 -0.722909E-03 -0.109619E+00 -0.491067E-01 -0.103881E-04 0.722909E-03 0.689084E-12 1.030 -0.342829E+00 -0.118460E-02 -0.314428E+00 -0.284015E-01 -0.707137E-04 0.118460E-02 0.196198E-12 1.032 -0.109569E+01 -0.248666E-02 -0.107636E+01 -0.193300E-01 -0.174935E-03 0.248666E-02 0.207012E-11 1.034 -0.168340E+02 -0.114783E-01 -0.168174E+02 -0.165728E-01 -0.786453E-03 0.114784E-01 0.419811E-12 1.036 -0.147285E+00 -0.263759E+00 -0.692218E-01 -0.780634E-01 -0.175431E-01 0.263759E+00 0.629675E-11 1.038 -0.130600E-01 -0.263687E+00 0.652300E-01 -0.782900E-01 -0.175436E-01 0.263687E+00 0.236238E-11 1.040 -0.530930E-02 -0.263538E+00 0.731996E-01 -0.785090E-01 -0.175397E-01 0.263538E+00 0.240949E-11 1.042 -0.352154E-02 -0.263385E+00 0.751576E-01 -0.786791E-01 -0.175353E-01 0.263385E+00 0.233511E-11 1.044 -0.284632E-02 -0.263229E+00 0.759517E-01 -0.787981E-01 -0.175309E-01 0.263229E+00 -0.203754E-10 1.046 -0.246871E-02 -0.263071E+00 0.764252E-01 -0.788940E-01 -0.175264E-01 0.263071E+00 -0.270783E-10 1.048 -0.221833E-02 -0.262908E+00 0.767403E-01 -0.789587E-01 -0.175219E-01 0.262908E+00 -0.281103E-10 1.050 -0.205070E-02 -0.262751E+00 0.769497E-01 -0.790007E-01 -0.175174E-01 0.262751E+00 -0.479133E-11 1.060 -0.142814E-02 -0.261948E+00 0.777288E-01 -0.791569E-01 -0.174950E-01 0.261948E+00 -0.900433E-12 1.070 -0.904062E-03 -0.261144E+00 0.783810E-01 -0.792851E-01 -0.174728E-01 0.261144E+00 -0.538856E-11 1.080 -0.355305E-03 -0.260339E+00 0.791055E-01 -0.794608E-01 -0.174508E-01 0.260339E+00 0.777652E-12 1.090 0.203140E-03 -0.259533E+00 0.798548E-01 -0.796517E-01 -0.174290E-01 0.259533E+00 0.334165E-11 1.100 0.741572E-03 -0.258725E+00 0.805616E-01 -0.798200E-01 -0.174073E-01 0.258725E+00 0.948522E-11 1.200 0.547832E-02 -0.250304E+00 0.858112E-01 -0.803329E-01 -0.172036E-01 0.250304E+00 -0.175883E-11 1.300 0.943917E-02 -0.241461E+00 0.895676E-01 -0.801285E-01 -0.170223E-01 0.241461E+00 0.440747E-12 1.400 0.150523E-01 -0.232481E+00 0.982769E-01 -0.843502E-01 -0.168575E-01 0.232518E+00 -0.440763E-06 1.500 0.168974E-01 -0.222937E+00 0.963572E-01 -0.794599E-01 -0.167204E-01 0.222937E+00 0.204994E-11 1.600 0.206594E-01 -0.213151E+00 0.100182E+00 -0.795229E-01 -0.166024E-01 0.213151E+00 -0.198672E-09 1.700 0.247048E-01 -0.202873E+00 0.104700E+00 -0.799956E-01 -0.165109E-01 0.202873E+00 -0.926544E-12 1.800 0.297896E-01 -0.192009E+00 0.111308E+00 -0.815188E-01 -0.164457E-01 0.192009E+00 -0.139716E-12 1.900 0.360432E-01 -0.180391E+00 0.120462E+00 -0.844188E-01 -0.164107E-01 0.180391E+00 0.209024E-11 2.000 0.441584E-01 -0.167732E+00 0.133627E+00 -0.894688E-01 -0.164133E-01 0.167732E+00 -0.816192E-11 2.100 0.551650E-01 -0.153566E+00 0.153196E+00 -0.980308E-01 -0.164635E-01 0.153566E+00 -0.654545E-11 2.200 0.706814E-01 -0.137114E+00 0.182934E+00 -0.112253E+00 -0.165772E-01 0.137114E+00 0.297955E-11 2.300 0.941371E-01 -0.117052E+00 0.230864E+00 -0.136727E+00 -0.167820E-01 0.117052E+00 -0.992537E-12 2.400 0.132403E+00 -0.909203E-01 0.312647E+00 -0.180244E+00 -0.171207E-01 0.909203E-01 0.435573E-10 2.500 0.199805E+00 -0.541115E-01 0.462354E+00 -0.262549E+00 -0.176777E-01 0.541115E-01 -0.134406E-10 2.600 0.327835E+00 0.305927E-02 0.756753E+00 -0.428918E+00 -0.186280E-01 -0.305926E-02 0.332457E-10 2.700 0.581017E+00 0.101765E+00 0.135205E+01 -0.771033E+00 -0.203461E-01 -0.101765E+00 0.435519E-10 2.800 0.996881E+00 0.276958E+00 0.226316E+01 -0.126628E+01 -0.234605E-01 -0.276958E+00 -0.584630E-11 2.900 0.102965E+01 0.495697E+00 0.200324E+01 -0.973592E+00 -0.276605E-01 -0.495697E+00 -0.589608E-12 3.000 0.414005E-01 0.581862E+00 -0.377514E-01 0.791508E-01 -0.302251E-01 -0.581862E+00 -0.128229E-10 3.100 -0.543295E+00 0.510671E+00 -0.970620E+00 0.427324E+00 -0.299843E-01 -0.510671E+00 0.213421E-10 3.200 -0.509030E+00 0.411243E+00 -0.868987E+00 0.359957E+00 -0.286896E-01 -0.411243E+00 0.516570E-10 3.300 -0.358619E+00 0.335398E+00 -0.600972E+00 0.242353E+00 -0.274730E-01 -0.335398E+00 -0.891142E-10 3.400 -0.240172E+00 0.284629E+00 -0.394806E+00 0.154633E+00 -0.265650E-01 -0.284629E+00 -0.381077E-12 3.500 -0.162151E+00 0.251528E+00 -0.258472E+00 0.963211E-01 -0.259376E-01 -0.251528E+00 -0.244969E-10 3.600 -0.111873E+00 0.229916E+00 -0.169924E+00 0.580504E-01 -0.255291E-01 -0.229916E+00 0.328794E-10 3.700 -0.787152E-01 0.215507E+00 -0.110969E+00 0.322539E-01 -0.252854E-01 -0.215507E+00 -0.377571E-10 3.800 -0.566259E-01 0.206075E+00 -0.709327E-01 0.143068E-01 -0.251705E-01 -0.206075E+00 0.979071E-10 3.900 -0.418297E-01 0.199968E+00 -0.434697E-01 0.163993E-02 -0.251476E-01 -0.199968E+00 0.208062E-11 4.000 -0.319261E-01 0.196114E+00 -0.246237E-01 -0.730241E-02 -0.251964E-01 -0.196114E+00 0.241565E-10 4.100 -0.253255E-01 0.193752E+00 -0.117535E-01 -0.135720E-01 -0.253020E-01 -0.193752E+00 0.618411E-11 4.200 -0.210474E-01 0.192411E+00 -0.310512E-02 -0.179423E-01 -0.254527E-01 -0.192411E+00 -0.403814E-11 4.300 -0.182415E-01 0.191736E+00 0.277528E-02 -0.210168E-01 -0.256384E-01 -0.191736E+00 -0.157284E-10 4.400 -0.165557E-01 0.191580E+00 0.657511E-02 -0.231308E-01 -0.258513E-01 -0.191580E+00 0.162003E-09 4.500 -0.152667E-01 0.191829E+00 0.990754E-02 -0.251743E-01 -0.260916E-01 -0.191829E+00 0.288945E-09 4.600 -0.139304E-01 0.192510E+00 0.137976E-01 -0.277277E-01 -0.263541E-01 -0.192510E+00 0.202914E-09 4.700 -0.116427E-01 0.193654E+00 0.203375E-01 -0.319801E-01 -0.266417E-01 -0.193654E+00 0.936893E-10 4.800 -0.855469E-02 0.195664E+00 0.297417E-01 -0.382964E-01 -0.269474E-01 -0.195664E+00 0.164720E-09 4.900 -0.393213E-02 0.198883E+00 0.439690E-01 -0.479012E-01 -0.272804E-01 -0.198883E+00 0.586365E-09 5.000 0.235060E-02 0.203878E+00 0.638944E-01 -0.615438E-01 -0.276366E-01 -0.203878E+00 0.501838E-09 5.100 0.107552E-01 0.211217E+00 0.906876E-01 -0.799324E-01 -0.280084E-01 -0.211217E+00 -0.658321E-09 5.200 0.210590E-01 0.221593E+00 0.123293E+00 -0.102234E+00 -0.283664E-01 -0.221593E+00 -0.290379E-09 5.300 0.328026E-01 0.235463E+00 0.158320E+00 -0.125518E+00 -0.286534E-01 -0.235463E+00 -0.551521E-10 5.400 0.448041E-01 0.252754E+00 0.188900E+00 -0.144096E+00 -0.287767E-01 -0.252754E+00 -0.474274E-10 5.500 0.553847E-01 0.272587E+00 0.207035E+00 -0.151650E+00 -0.286471E-01 -0.272587E+00 -0.613861E-10 5.600 0.624313E-01 0.293403E+00 0.207971E+00 -0.145540E+00 -0.282182E-01 -0.293403E+00 0.146656E-10 5.700 0.644218E-01 0.313473E+00 0.193095E+00 -0.128673E+00 -0.275236E-01 -0.313473E+00 -0.361827E-10 5.800 0.608736E-01 0.331423E+00 0.166884E+00 -0.106011E+00 -0.266456E-01 -0.331423E+00 0.448658E-11 5.900 0.521730E-01 0.346344E+00 0.133394E+00 -0.812213E-01 -0.256620E-01 -0.346344E+00 -0.560284E-10 6.000 0.393500E-01 0.357657E+00 0.952591E-01 -0.559091E-01 -0.246233E-01 -0.357657E+00 0.470462E-10 6.200 0.629328E-02 0.368261E+00 0.131044E-01 -0.681109E-02 -0.224519E-01 -0.368261E+00 -0.541059E-10 6.400 -0.284465E-01 0.362709E+00 -0.644288E-01 0.359823E-01 -0.201792E-01 -0.362709E+00 -0.352929E-10 6.600 -0.571903E-01 0.343265E+00 -0.124824E+00 0.676338E-01 -0.178324E-01 -0.343265E+00 0.126240E-10 6.800 -0.760486E-01 0.314085E+00 -0.161954E+00 0.859056E-01 -0.154752E-01 -0.314085E+00 -0.135445E-10 7.000 -0.848405E-01 0.279818E+00 -0.176744E+00 0.919035E-01 -0.131885E-01 -0.279818E+00 -0.200784E-10 7.200 -0.856891E-01 0.244431E+00 -0.174524E+00 0.888350E-01 -0.110441E-01 -0.244431E+00 -0.124435E-11 7.400 -0.813930E-01 0.210670E+00 -0.161711E+00 0.803182E-01 -0.909008E-02 -0.210670E+00 -0.584591E-10 7.600 -0.744082E-01 0.180077E+00 -0.143744E+00 0.693362E-01 -0.734980E-02 -0.180077E+00 -0.103641E-09 7.800 -0.664665E-01 0.153269E+00 -0.124369E+00 0.579026E-01 -0.582627E-02 -0.153269E+00 -0.553519E-10 8.000 -0.586209E-01 0.130290E+00 -0.105790E+00 0.471688E-01 -0.451027E-02 -0.130290E+00 -0.333469E-10 8.250 -0.497282E-01 0.106497E+00 -0.852418E-01 0.355136E-01 -0.313020E-02 -0.106497E+00 0.939675E-10 8.500 -0.421694E-01 0.874064E-01 -0.681991E-01 0.260297E-01 -0.200756E-02 -0.874064E-01 -0.116602E-12 8.750 -0.359258E-01 0.721524E-01 -0.544810E-01 0.185551E-01 -0.110294E-02 -0.721524E-01 -0.857017E-10 9.000 -0.308226E-01 0.599616E-01 -0.436027E-01 0.127802E-01 -0.380581E-03 -0.599616E-01 -0.620975E-10 9.250 -0.266463E-01 0.501911E-01 -0.350269E-01 0.838065E-02 0.190610E-03 -0.501911E-01 0.238273E-10 9.500 -0.231967E-01 0.423269E-01 -0.282670E-01 0.507031E-02 0.636987E-03 -0.423269E-01 0.123103E-09 9.750 -0.203044E-01 0.359666E-01 -0.229180E-01 0.261358E-02 0.980811E-03 -0.359666E-01 0.574269E-11 10.000 -0.178348E-01 0.307993E-01 -0.186587E-01 0.823912E-03 0.124071E-02 -0.307993E-01 -0.481119E-10 10.250 -0.156851E-01 0.265852E-01 -0.152399E-01 -0.445189E-03 0.143231E-02 -0.265852E-01 0.903842E-10 10.500 -0.137810E-01 0.231393E-01 -0.124725E-01 -0.130844E-02 0.156874E-02 -0.231393E-01 0.860943E-10 10.600 -0.130763E-01 0.219429E-01 -0.115154E-01 -0.156084E-02 0.161035E-02 -0.219429E-01 0.648497E-10 10.700 -0.124004E-01 0.208380E-01 -0.106327E-01 -0.176775E-02 0.164552E-02 -0.208380E-01 -0.706611E-11 10.800 -0.117516E-01 0.198179E-01 -0.981773E-02 -0.193391E-02 0.167482E-02 -0.198179E-01 -0.199947E-10 10.900 -0.111292E-01 0.188765E-01 -0.906678E-02 -0.206246E-02 0.169875E-02 -0.188765E-01 -0.889675E-10 11.000 -0.105310E-01 0.180069E-01 -0.837195E-02 -0.215907E-02 0.171780E-02 -0.180069E-01 -0.119410E-09 11.100 -0.995661E-02 0.172041E-01 -0.773035E-02 -0.222626E-02 0.173235E-02 -0.172041E-01 -0.188625E-10 11.200 -0.940822E-02 0.164640E-01 -0.714249E-02 -0.226574E-02 0.174309E-02 -0.164641E-01 -0.543783E-11 11.300 -0.888220E-02 0.157797E-01 -0.659904E-02 -0.228316E-02 0.175008E-02 -0.157797E-01 -0.967570E-10 11.400 -0.837991E-02 0.151476E-01 -0.609967E-02 -0.228024E-02 0.175376E-02 -0.151476E-01 -0.172385E-09 11.500 -0.790145E-02 0.145634E-01 -0.564184E-02 -0.225961E-02 0.175442E-02 -0.145634E-01 -0.310802E-09 11.600 -0.744659E-02 0.140236E-01 -0.522281E-02 -0.222378E-02 0.175218E-02 -0.140236E-01 -0.329289E-09 11.700 -0.701587E-02 0.135234E-01 -0.484112E-02 -0.217480E-02 0.174765E-02 -0.135234E-01 -0.249097E-09 11.800 -0.660899E-02 0.130603E-01 -0.449419E-02 -0.211479E-02 0.174081E-02 -0.130603E-01 -0.986113E-10 11.900 -0.622617E-02 0.126293E-01 -0.418060E-02 -0.204557E-02 0.173209E-02 -0.126293E-01 -0.705765E-09 12.000 -0.586639E-02 0.122277E-01 -0.389707E-02 -0.196931E-02 0.172193E-02 -0.122277E-01 0.299128E-09 12.250 -0.506489E-02 0.113397E-01 -0.330737E-02 -0.175752E-02 0.168897E-02 -0.113397E-01 0.413676E-11 12.500 -0.439616E-02 0.105797E-01 -0.286770E-02 -0.152846E-02 0.164959E-02 -0.105796E-01 -0.179863E-10 12.750 -0.384040E-02 0.992224E-02 -0.253461E-02 -0.130579E-02 0.160414E-02 -0.992224E-02 -0.117454E-09 13.000 -0.337858E-02 0.933302E-02 -0.227720E-02 -0.110138E-02 0.155839E-02 -0.933302E-02 -0.316370E-09 13.250 -0.298891E-02 0.880599E-02 -0.206828E-02 -0.920636E-03 0.151338E-02 -0.880598E-02 -0.384064E-09 13.500 -0.267215E-02 0.832962E-02 -0.191632E-02 -0.755825E-03 0.146671E-02 -0.832962E-02 0.366193E-09 13.750 -0.240315E-02 0.788824E-02 -0.178911E-02 -0.614053E-03 0.142039E-02 -0.788825E-02 -0.211109E-10 14.000 -0.217340E-02 0.747585E-02 -0.167721E-02 -0.496191E-03 0.137581E-02 -0.747585E-02 0.549413E-09 14.250 -0.197464E-02 0.709255E-02 -0.157948E-02 -0.395160E-03 0.133234E-02 -0.709256E-02 0.198337E-10 14.500 -0.180521E-02 0.673453E-02 -0.148704E-02 -0.318175E-03 0.129155E-02 -0.673452E-02 0.177978E-09 14.750 -0.166066E-02 0.640198E-02 -0.140597E-02 -0.254691E-03 0.125380E-02 -0.640198E-02 -0.905496E-10 15.000 -0.153914E-02 0.609271E-02 -0.133596E-02 -0.203177E-03 0.122029E-02 -0.609271E-02 0.616734E-09 15.250 -0.142960E-02 0.580055E-02 -0.126302E-02 -0.166584E-03 0.118871E-02 -0.580054E-02 0.415619E-10 15.500 -0.134307E-02 0.552671E-02 -0.120883E-02 -0.134244E-03 0.116346E-02 -0.552671E-02 -0.193920E-08 15.750 -0.126293E-02 0.526983E-02 -0.115445E-02 -0.108533E-03 0.113632E-02 -0.526964E-02 0.537343E-09 16.000 -0.119910E-02 0.502744E-02 -0.110352E-02 -0.955877E-04 0.111874E-02 -0.502744E-02 0.105400E-08 16.250 -0.113224E-02 0.479255E-02 -0.104995E-02 -0.822855E-04 0.109705E-02 -0.479256E-02 0.167849E-08 16.500 -0.108469E-02 0.456883E-02 -0.100753E-02 -0.771727E-04 0.108627E-02 -0.456883E-02 0.768241E-09 16.750 -0.102766E-02 0.434937E-02 -0.940094E-03 -0.875739E-04 0.107029E-02 -0.434937E-02 0.102790E-08 17.000 -0.976144E-03 0.415677E-02 -0.882902E-03 -0.932478E-04 0.105714E-02 -0.415678E-02 0.285120E-09 17.250 -0.931605E-03 0.396639E-02 -0.832037E-03 -0.995721E-04 0.104480E-02 -0.396637E-02 0.130621E-09 17.500 -0.896833E-03 0.378653E-02 -0.798748E-03 -0.980880E-04 0.103057E-02 -0.378654E-02 -0.944990E-09 18.000 -0.853737E-03 0.346435E-02 -0.738923E-03 -0.114828E-03 0.102488E-02 -0.346433E-02 0.794288E-09 18.250 -0.829396E-03 0.331592E-02 -0.700273E-03 -0.129127E-03 0.102677E-02 -0.331593E-02 0.170970E-09 18.500 -0.808197E-03 0.316758E-02 -0.663452E-03 -0.144748E-03 0.103006E-02 -0.316757E-02 0.478956E-09 18.750 -0.786891E-03 0.303026E-02 -0.629822E-03 -0.157060E-03 0.103589E-02 -0.303028E-02 0.112946E-08 19.000 -0.772732E-03 0.290861E-02 -0.614169E-03 -0.158685E-03 0.104696E-02 -0.290870E-02 -0.321943E-09 19.250 -0.763741E-03 0.281739E-02 -0.579660E-03 -0.184087E-03 0.106923E-02 -0.281740E-02 -0.159505E-09 19.500 -0.759474E-03 0.276406E-02 -0.553076E-03 -0.206357E-03 0.109766E-02 -0.276402E-02 -0.103671E-08 19.750 -0.757950E-03 0.271381E-02 -0.529400E-03 -0.228581E-03 0.113720E-02 -0.271382E-02 -0.385151E-08 20.000 -0.760030E-03 0.267061E-02 -0.501472E-03 -0.258567E-03 0.118650E-02 -0.267059E-02 -0.134444E-08 S6 - S5 NONADIABATIC COUPLING R A12-B12/R B12 DB12/DR A21-B21/R G12 B21 S12 1.000 0.119841E+02 0.277455E+00 0.239317E+02 -0.119476E+02 -0.137178E-04 -0.277455E+00 0.735890E-11 1.010 0.531095E+02 0.705263E+00 0.106198E+03 -0.530890E+02 -0.142788E-04 -0.705264E+00 0.660575E-11 1.012 0.781325E+02 0.867671E+00 0.156247E+03 -0.781144E+02 -0.142506E-04 -0.867670E+00 0.106379E-10 1.014 0.131076E+03 0.116109E+01 0.262138E+03 -0.131062E+03 -0.143240E-04 -0.116109E+01 0.287192E-11 1.016 0.260669E+03 0.171069E+01 0.521331E+03 -0.260661E+03 -0.144050E-04 -0.171069E+01 -0.182700E-10 1.018 0.867478E+03 0.379543E+01 0.173498E+04 -0.867499E+03 -0.154642E-04 -0.379543E+01 0.132444E-10 1.020 0.688833E+04 0.154635E+02 0.137768E+05 -0.688844E+04 -0.189749E-04 -0.154635E+02 0.405911E-11 1.022 -0.246421E+08 -0.423786E+04 -0.492841E+08 0.246420E+08 0.120628E-03 0.423786E+04 -0.819091E-11 1.024 0.945290E+04 -0.195264E+02 0.189055E+05 -0.945259E+04 -0.510033E-05 0.195264E+02 0.131027E-10 1.026 0.116758E+04 -0.482046E+01 0.233497E+04 -0.116739E+04 -0.907175E-05 0.482046E+01 0.113882E-10 1.028 0.333331E+03 -0.204955E+01 0.666511E+03 -0.333180E+03 -0.105488E-04 0.204955E+01 0.376462E-11 1.030 0.136964E+03 -0.110548E+01 0.273796E+03 -0.136833E+03 -0.113286E-04 0.110548E+01 0.557790E-11 1.032 0.687001E+02 -0.677109E+00 0.137281E+03 -0.685809E+02 -0.118521E-04 0.677109E+00 0.258104E-11 1.034 0.378151E+02 -0.433436E+00 0.755199E+02 -0.377048E+02 -0.122419E-04 0.433437E+00 0.320923E-11 1.036 0.229737E+02 -0.294346E+00 0.458429E+02 -0.228691E+02 -0.125542E-04 0.294345E+00 0.214165E-11 1.038 0.149580E+02 -0.207499E+00 0.298161E+02 -0.148580E+02 -0.127840E-04 0.207499E+00 0.274523E-11 1.040 0.105125E+02 -0.154040E+00 0.209278E+02 -0.104153E+02 -0.129926E-04 0.154040E+00 0.216843E-11 1.042 0.767926E+01 -0.116098E+00 0.152635E+02 -0.758423E+01 -0.131684E-04 0.116098E+00 0.872184E-11 1.044 0.579153E+01 -0.879073E-01 0.114900E+02 -0.569853E+01 -0.133264E-04 0.879078E-01 0.640702E-12 1.046 0.460327E+01 -0.694499E-01 0.911473E+01 -0.451145E+01 -0.134662E-04 0.694497E-01 -0.550239E-12 1.048 0.395059E+01 -0.596175E-01 0.780978E+01 -0.385917E+01 -0.135770E-04 0.596170E-01 -0.491569E-12 1.050 0.334818E+01 -0.496254E-01 0.660550E+01 -0.325733E+01 -0.136967E-04 0.496257E-01 0.119114E-11 1.060 0.202116E+01 -0.280141E-01 0.395155E+01 -0.193039E+01 -0.142054E-04 0.280142E-01 0.108162E-11 1.070 0.146967E+01 -0.185770E-01 0.284764E+01 -0.137796E+01 -0.146847E-04 0.185768E-01 0.220748E-11 1.080 0.105307E+01 -0.704003E-02 0.201519E+01 -0.962112E+00 -0.151887E-04 0.704020E-02 -0.137666E-11 1.090 0.722725E+00 0.577385E-02 0.135636E+01 -0.633638E+00 -0.157566E-04 -0.577397E-02 -0.202255E-13 1.100 0.458470E+00 0.199304E-01 0.831014E+00 -0.372544E+00 -0.164573E-04 -0.199303E-01 -0.121043E-10 1.200 0.891842E-01 0.440436E-01 0.891079E-01 0.761638E-04 -0.238981E-04 -0.440436E-01 -0.227450E-11 1.300 0.105393E+00 0.465122E-01 0.115283E+00 -0.989013E-02 -0.321004E-04 -0.465122E-01 -0.230571E-11 1.400 0.182556E+01 -0.987210E-02 0.365466E+01 -0.185569E+01 -0.189635E-04 0.105314E-01 -0.529403E-05 1.500 0.124139E+00 0.680673E-01 0.144308E+00 -0.201696E-01 -0.568096E-04 -0.680673E-01 0.102857E-11 1.600 0.147034E+00 0.823051E-01 0.185422E+00 -0.383882E-01 -0.750000E-04 -0.823052E-01 -0.636218E-09 1.700 0.175839E+00 0.990903E-01 0.236816E+00 -0.609771E-01 -0.997972E-04 -0.990903E-01 0.100962E-11 1.800 0.193769E+00 0.120752E+00 0.265183E+00 -0.714144E-01 -0.134072E-03 -0.120752E+00 0.139976E-10 1.900 0.229409E+00 0.149299E+00 0.328069E+00 -0.986595E-01 -0.182173E-03 -0.149299E+00 -0.786280E-11 2.000 0.285404E+00 0.185686E+00 0.431587E+00 -0.146183E+00 -0.249956E-03 -0.185686E+00 0.248837E-10 2.100 0.387030E+00 0.231859E+00 0.626092E+00 -0.239062E+00 -0.349332E-03 -0.231859E+00 0.327284E-10 2.200 0.537432E+00 0.296240E+00 0.922628E+00 -0.385196E+00 -0.503856E-03 -0.296240E+00 0.136231E-10 2.300 0.772176E+00 0.389200E+00 0.140623E+01 -0.634047E+00 -0.759037E-03 -0.389201E+00 -0.478246E-10 2.400 0.109792E+01 0.535413E+00 0.213612E+01 -0.103820E+01 -0.122760E-02 -0.535413E+00 -0.494278E-10 2.500 0.151418E+01 0.767268E+00 0.326943E+01 -0.175574E+01 -0.215129E-02 -0.767232E+00 -0.657096E-11 2.600 0.168083E+01 0.112605E+01 0.472455E+01 -0.304372E+01 -0.410704E-02 -0.112605E+01 -0.285922E-09 2.700 -0.536789E-01 0.158582E+01 0.485736E+01 -0.491104E+01 -0.819947E-02 -0.158582E+01 -0.112200E-09 2.800 -0.458884E+01 0.185939E+01 0.792678E+00 -0.538152E+01 -0.145181E-01 -0.185939E+01 -0.747125E-09 2.900 -0.635087E+01 0.159231E+01 -0.452490E+01 -0.182597E+01 -0.179483E-01 -0.159231E+01 0.308856E-10 3.000 -0.446449E+01 0.102714E+01 -0.521418E+01 0.749691E+00 -0.147006E-01 -0.102715E+01 -0.918297E-10 3.100 -0.228121E+01 0.595155E+00 -0.316757E+01 0.886368E+00 -0.983334E-02 -0.595155E+00 0.281725E-10 3.200 -0.111012E+01 0.353884E+00 -0.171555E+01 0.605426E+00 -0.658168E-02 -0.353884E+00 0.685194E-10 3.300 -0.577219E+00 0.220635E+00 -0.978263E+00 0.401044E+00 -0.468353E-02 -0.220635E+00 -0.184946E-09 3.400 -0.325460E+00 0.141678E+00 -0.605618E+00 0.280158E+00 -0.355505E-02 -0.141678E+00 -0.106645E-10 3.500 -0.195826E+00 0.911623E-01 -0.403927E+00 0.208101E+00 -0.285189E-02 -0.911623E-01 -0.116758E-10 3.600 -0.122378E+00 0.565470E-01 -0.285074E+00 0.162696E+00 -0.239580E-02 -0.565470E-01 0.335482E-10 3.700 -0.767659E-01 0.312822E-01 -0.208706E+00 0.131941E+00 -0.208434E-02 -0.312823E-01 0.822603E-11 3.800 -0.459956E-01 0.123109E-01 -0.155429E+00 0.109433E+00 -0.187172E-02 -0.123109E-01 0.330847E-10 3.900 -0.233775E-01 -0.213965E-02 -0.114768E+00 0.913903E-01 -0.173337E-02 0.213965E-02 -0.382757E-11 4.000 -0.525511E-02 -0.130834E-01 -0.806517E-01 0.753966E-01 -0.165560E-02 0.130834E-01 -0.139587E-10 4.100 0.104139E-01 -0.210219E-01 -0.494469E-01 0.598608E-01 -0.163151E-02 0.210219E-01 0.109063E-10 4.200 0.246461E-01 -0.261308E-01 -0.191579E-01 0.438040E-01 -0.166212E-02 0.261308E-01 -0.116614E-10 4.300 0.381476E-01 -0.285081E-01 0.118958E-01 0.262518E-01 -0.174901E-02 0.285081E-01 -0.217031E-10 4.400 0.510135E-01 -0.279594E-01 0.442678E-01 0.674575E-02 -0.190017E-02 0.279594E-01 0.113774E-10 4.500 0.630625E-01 -0.242964E-01 0.780170E-01 -0.149545E-01 -0.212698E-02 0.242964E-01 -0.445917E-10 4.600 0.741626E-01 -0.172810E-01 0.113448E+00 -0.392852E-01 -0.244266E-02 0.172810E-01 -0.734713E-10 4.700 0.842226E-01 -0.685520E-02 0.150967E+00 -0.667449E-01 -0.286228E-02 0.685521E-02 -0.452734E-11 4.800 0.929137E-01 0.753743E-02 0.190773E+00 -0.978590E-01 -0.340074E-02 -0.753742E-02 0.117615E-09 4.900 0.100001E+00 0.260375E-01 0.233065E+00 -0.133065E+00 -0.407589E-02 -0.260375E-01 0.470019E-09 5.000 0.105042E+00 0.490553E-01 0.277357E+00 -0.172314E+00 -0.490361E-02 -0.490553E-01 0.447171E-09 5.100 0.107753E+00 0.766328E-01 0.322415E+00 -0.214662E+00 -0.589281E-02 -0.766328E-01 -0.104927E-08 5.200 0.107799E+00 0.108873E+00 0.364659E+00 -0.256860E+00 -0.702889E-02 -0.108873E+00 -0.359476E-09 5.300 0.104908E+00 0.145193E+00 0.396652E+00 -0.291745E+00 -0.825734E-02 -0.145193E+00 -0.304703E-10 5.400 0.987716E-01 0.184090E+00 0.407171E+00 -0.308400E+00 -0.946295E-02 -0.184090E+00 -0.990170E-10 5.500 0.897382E-01 0.222832E+00 0.388078E+00 -0.298340E+00 -0.104810E-01 -0.222832E+00 -0.354363E-09 5.600 0.783317E-01 0.258392E+00 0.341806E+00 -0.263475E+00 -0.111543E-01 -0.258392E+00 0.840774E-11 5.700 0.654272E-01 0.288601E+00 0.282191E+00 -0.216764E+00 -0.114112E-01 -0.288601E+00 -0.125562E-10 5.800 0.518337E-01 0.312826E+00 0.223677E+00 -0.171843E+00 -0.112844E-01 -0.312826E+00 0.153284E-10 5.900 0.377664E-01 0.331640E+00 0.173092E+00 -0.135325E+00 -0.108642E-01 -0.331640E+00 -0.178535E-10 6.000 0.235929E-01 0.345880E+00 0.131231E+00 -0.107639E+00 -0.102493E-01 -0.345880E+00 -0.742960E-11 6.200 -0.498250E-02 0.363565E+00 0.643198E-01 -0.693023E-01 -0.872640E-02 -0.363565E+00 -0.299862E-10 6.400 -0.326961E-01 0.369389E+00 0.802455E-02 -0.407206E-01 -0.709954E-02 -0.369389E+00 -0.305615E-10 6.600 -0.574479E-01 0.364903E+00 -0.418487E-01 -0.155992E-01 -0.554677E-02 -0.364903E+00 -0.104905E-10 6.800 -0.771692E-01 0.351506E+00 -0.833065E-01 0.613726E-02 -0.415228E-02 -0.351506E+00 -0.112130E-10 7.000 -0.908201E-01 0.331094E+00 -0.113954E+00 0.231335E-01 -0.295272E-02 -0.331094E+00 -0.810737E-10 7.200 -0.986365E-01 0.305870E+00 -0.133432E+00 0.347960E-01 -0.195513E-02 -0.305870E+00 -0.118820E-10 7.400 -0.101634E+00 0.277904E+00 -0.143138E+00 0.415038E-01 -0.114771E-02 -0.277904E+00 -0.113176E-09 7.600 -0.101152E+00 0.248881E+00 -0.145442E+00 0.442900E-01 -0.508469E-03 -0.248881E+00 -0.128450E-09 7.800 -0.984239E-01 0.220006E+00 -0.142750E+00 0.443265E-01 -0.118831E-04 -0.220006E+00 -0.438122E-10 8.000 -0.944062E-01 0.192064E+00 -0.137038E+00 0.426320E-01 0.367355E-03 -0.192064E+00 -0.151492E-10 8.250 -0.885489E-01 0.159102E+00 -0.127767E+00 0.392177E-01 0.710205E-03 -0.159102E+00 0.289336E-10 8.500 -0.824372E-01 0.128658E+00 -0.117656E+00 0.352188E-01 0.940825E-03 -0.128658E+00 0.926628E-13 8.750 -0.764096E-01 0.100809E+00 -0.107525E+00 0.311157E-01 0.108735E-02 -0.100809E+00 0.984628E-11 9.000 -0.705545E-01 0.755011E-01 -0.976375E-01 0.270829E-01 0.117093E-02 -0.755011E-01 0.147888E-10 9.250 -0.648274E-01 0.526598E-01 -0.879475E-01 0.231201E-01 0.120738E-02 -0.526598E-01 0.214417E-10 9.500 -0.591439E-01 0.322441E-01 -0.783033E-01 0.191594E-01 0.120844E-02 -0.322441E-01 0.160664E-10 9.750 -0.534237E-01 0.142513E-01 -0.685464E-01 0.151228E-01 0.118300E-02 -0.142513E-01 0.136942E-10 10.000 -0.476325E-01 -0.128193E-02 -0.586035E-01 0.109710E-01 0.113781E-02 0.128192E-02 -0.100629E-10 10.250 -0.417979E-01 -0.143127E-01 -0.485233E-01 0.672546E-02 0.107819E-02 0.143127E-01 0.185222E-11 10.500 -0.360096E-01 -0.248272E-01 -0.384789E-01 0.246929E-02 0.100839E-02 0.248272E-01 0.237245E-10 10.600 -0.337400E-01 -0.283304E-01 -0.345356E-01 0.795575E-03 0.978409E-03 0.283304E-01 -0.309819E-10 10.700 -0.315263E-01 -0.314421E-01 -0.306940E-01 -0.832314E-03 0.947550E-03 0.314421E-01 -0.440984E-11 10.800 -0.293313E-01 -0.341730E-01 -0.268794E-01 -0.245194E-02 0.916007E-03 0.341730E-01 -0.159288E-10 10.900 -0.272034E-01 -0.365074E-01 -0.231879E-01 -0.401547E-02 0.883908E-03 0.365074E-01 -0.181563E-10 11.000 -0.251500E-01 -0.384989E-01 -0.196351E-01 -0.551491E-02 0.851458E-03 0.384988E-01 -0.167414E-10 11.100 -0.231741E-01 -0.401521E-01 -0.162267E-01 -0.694743E-02 0.818764E-03 0.401521E-01 -0.305206E-11 11.200 -0.213502E-01 -0.414254E-01 -0.131113E-01 -0.823893E-02 0.785948E-03 0.414254E-01 -0.957822E-11 11.300 -0.195693E-01 -0.424289E-01 -0.100707E-01 -0.949869E-02 0.753182E-03 0.424289E-01 -0.137212E-10 11.400 -0.178937E-01 -0.431427E-01 -0.722955E-02 -0.106642E-01 0.720546E-03 0.431427E-01 -0.131880E-10 11.500 -0.163296E-01 -0.435862E-01 -0.460046E-02 -0.117292E-01 0.688140E-03 0.435862E-01 0.121997E-10 11.600 -0.148006E-01 -0.437810E-01 -0.203089E-02 -0.127696E-01 0.655916E-03 0.437810E-01 -0.280103E-11 11.700 -0.134753E-01 -0.437469E-01 0.142628E-03 -0.136180E-01 0.624212E-03 0.437470E-01 0.148523E-11 11.800 -0.123050E-01 -0.434979E-01 0.201653E-02 -0.143215E-01 0.592940E-03 0.434976E-01 -0.528386E-11 11.900 -0.112350E-01 -0.430837E-01 0.370151E-02 -0.149365E-01 0.562263E-03 0.430838E-01 0.132411E-11 12.000 -0.102850E-01 -0.424962E-01 0.515718E-02 -0.154422E-01 0.532132E-03 0.424962E-01 -0.319654E-10 12.250 -0.831825E-02 -0.403702E-01 0.802464E-02 -0.163429E-01 0.459280E-03 0.403702E-01 0.214797E-10 12.500 -0.708935E-02 -0.375181E-01 0.947813E-02 -0.165675E-01 0.390236E-03 0.375181E-01 0.424280E-11 12.750 -0.638567E-02 -0.344108E-01 0.994175E-02 -0.163274E-01 0.325783E-03 0.344108E-01 0.134355E-10 13.000 -0.589406E-02 -0.314160E-01 0.100389E-01 -0.159330E-01 0.266043E-03 0.314160E-01 0.251939E-11 13.250 -0.548428E-02 -0.285754E-01 0.100253E-01 -0.155095E-01 0.210756E-03 0.285754E-01 -0.254410E-10 13.500 -0.530722E-02 -0.257093E-01 0.959345E-02 -0.149007E-01 0.159107E-03 0.257093E-01 0.910438E-11 13.750 -0.522226E-02 -0.230080E-01 0.902175E-02 -0.142439E-01 0.111163E-03 0.230081E-01 0.353569E-11 14.000 -0.524304E-02 -0.205267E-01 0.827984E-02 -0.135228E-01 0.666866E-04 0.205267E-01 0.348435E-11 14.250 -0.532581E-02 -0.182253E-01 0.745130E-02 -0.127771E-01 0.251924E-04 0.182252E-01 0.663754E-11 14.500 -0.542615E-02 -0.162117E-01 0.662297E-02 -0.120491E-01 -0.132468E-04 0.162117E-01 -0.980793E-11 14.750 -0.554558E-02 -0.143270E-01 0.578835E-02 -0.113339E-01 -0.491812E-04 0.143270E-01 -0.462373E-11 15.000 -0.555337E-02 -0.126546E-01 0.520623E-02 -0.107597E-01 -0.827787E-04 0.126547E-01 0.212661E-11 15.250 -0.555196E-02 -0.111486E-01 0.466983E-02 -0.102219E-01 -0.114186E-03 0.111486E-01 0.110991E-10 15.500 -0.554819E-02 -0.979606E-02 0.416308E-02 -0.971128E-02 -0.143681E-03 0.979605E-02 0.572889E-11 15.750 -0.552026E-02 -0.856499E-02 0.372858E-02 -0.924892E-02 -0.171337E-03 0.856491E-02 -0.372068E-11 16.000 -0.546517E-02 -0.746284E-02 0.337060E-02 -0.883585E-02 -0.197237E-03 0.746277E-02 0.184580E-11 16.250 -0.541261E-02 -0.646504E-02 0.302782E-02 -0.844034E-02 -0.221601E-03 0.646499E-02 -0.330214E-11 16.500 -0.540264E-02 -0.552534E-02 0.261914E-02 -0.802192E-02 -0.244532E-03 0.552534E-02 0.884007E-11 16.750 -0.530296E-02 -0.460747E-02 0.240812E-02 -0.771120E-02 -0.266256E-03 0.460748E-02 0.624032E-11 17.000 -0.518691E-02 -0.374597E-02 0.224739E-02 -0.743438E-02 -0.286695E-03 0.374601E-02 -0.933762E-11 17.250 -0.510905E-02 -0.295421E-02 0.202622E-02 -0.713525E-02 -0.305879E-03 0.295416E-02 0.558766E-11 17.500 -0.502970E-02 -0.222073E-02 0.182384E-02 -0.685352E-02 -0.323896E-03 0.222071E-02 -0.553923E-11 18.000 -0.488269E-02 -0.813206E-03 0.143769E-02 -0.632038E-02 -0.356764E-03 0.813198E-03 -0.411635E-11 18.250 -0.479060E-02 -0.961010E-04 0.130116E-02 -0.609049E-02 -0.371851E-03 0.970632E-04 0.226435E-11 18.500 -0.467465E-02 0.574287E-03 0.122462E-02 -0.589935E-02 -0.386052E-03 -0.574260E-03 -0.406965E-11 18.750 -0.452757E-02 0.119783E-02 0.122149E-02 -0.574900E-02 -0.399478E-03 -0.119776E-02 0.103544E-10 19.000 -0.447908E-02 0.177296E-02 0.103172E-02 -0.551038E-02 -0.412137E-03 -0.177287E-02 -0.862249E-12 19.250 -0.442730E-02 0.237432E-02 0.860139E-03 -0.528744E-02 -0.423925E-03 -0.237425E-02 -0.760389E-11 19.500 -0.435112E-02 0.301084E-02 0.748097E-03 -0.509915E-02 -0.434950E-03 -0.301101E-02 0.220756E-12 19.750 -0.430644E-02 0.357916E-02 0.581720E-03 -0.488803E-02 -0.445337E-03 -0.357893E-02 -0.875409E-11 20.000 -0.423380E-02 0.411375E-02 0.480403E-03 -0.471447E-02 -0.455056E-03 -0.411370E-02 -0.112218E-10