# Agua7 lambda=0: V_0(H3) [5 H2-molecule sizes]: r, R in bohrs, V in hartrees. # # # R V0(r= .90000) V0(r=1.28000) V0(r=1.44900) V0(r=1.61800) V0(r=2.00000) #==== ------------- ------------- ============= ------------- ------------- 1.6 1.210010E-01 1.083355E-01 1.004720E-01 9.070285E-02 6.271577E-02 1.8 8.641819E-02 7.619099E-02 6.997419E-02 6.195362E-02 3.517350E-02 2.0 6.248317E-02 5.463174E-02 4.994181E-02 4.393226E-02 2.131727E-02 2.2 4.647526E-02 3.981103E-02 3.599920E-02 3.157744E-02 1.412585E-02 2.4 3.603220E-02 2.963884E-02 2.609389E-02 2.265157E-02 1.014708E-02 2.6 2.897656E-02 2.269934E-02 1.909200E-02 1.611347E-02 7.723041E-03 2.8 2.363845E-02 1.790197E-02 1.419136E-02 1.135724E-02 6.056037E-03 3.0 1.904545E-02 1.444723E-02 1.077073E-02 7.949100E-03 4.763011E-03 3.2 1.483076E-02 1.182202E-02 8.371661E-03 5.560102E-03 3.689329E-03 3.4 1.099022E-02 9.740858E-03 6.678384E-03 3.939995E-03 2.803915E-03 3.6 7.648034E-03 8.059435E-03 5.479233E-03 2.893404E-03 2.119679E-03 3.8 4.909899E-03 6.700918E-03 4.628088E-03 2.261403E-03 1.642719E-03 4.0 2.806142E-03 5.611707E-03 4.018221E-03 1.912420E-03 1.353547E-03 4.2 1.293257E-03 4.743213E-03 3.568919E-03 1.740060E-03 1.210887E-03 4.4 2.802870E-04 4.048781E-03 3.219852E-03 1.663147E-03 1.164580E-03 4.6 -3.421328E-04 3.486272E-03 2.928328E-03 1.624772E-03 1.167764E-03 4.8 -6.801648E-04 3.020890E-03 2.666766E-03 1.589341E-03 1.184186E-03 5.0 -8.246268E-04 2.626328E-03 2.419638E-03 1.538169E-03 1.190438E-03 5.2 -8.465508E-04 2.284242E-03 2.180134E-03 1.464613E-03 1.174726E-03 5.4 -7.976467E-04 1.982721E-03 1.947027E-03 1.369610E-03 1.133989E-03 5.6 -7.132242E-04 1.714469E-03 1.722106E-03 1.258119E-03 1.070733E-03 5.8 -6.158929E-04 1.475152E-03 1.508327E-03 1.136592E-03 9.903236E-04 6.0 -5.190931E-04 1.262109E-03 1.308625E-03 1.011380E-03 8.990220E-04 6.2 -4.300289E-04 1.073484E-03 1.125287E-03 8.878803E-04 8.027546E-04 6.4 -3.519027E-04 9.076891E-04 9.597041E-04 7.701963E-04 7.064678E-04 6.6 -2.855077E-04 7.631443E-04 8.123675E-04 6.611146E-04 6.138982E-04 6.8 -2.303023E-04 6.381709E-04 6.830025E-04 5.622612E-04 5.275954E-04 7.0 -1.850979E-04 5.309913E-04 5.707488E-04 4.743280E-04 4.490803E-04 7.2 -1.484748E-04 4.397724E-04 4.743491E-04 3.973119E-04 3.790544E-04 7.4 -1.190171E-04 3.626850E-04 3.923150E-04 3.307307E-04 3.176121E-04 7.6 -9.543114E-05 2.979599E-04 3.230608E-04 2.738017E-04 2.644299E-04 7.8 -7.659489E-05 2.439318E-04 2.650031E-04 2.255810E-04 2.189210E-04 8.0 -6.156704E-05 1.990701E-04 2.166294E-04 1.850637E-04 1.803536E-04 8.2 -4.957554E-05 1.619953E-04 1.765406E-04 1.512541E-04 1.479380E-04 8.4 -3.999688E-05 1.314854E-04 1.434748E-04 1.232104E-04 1.208853E-04 8.6 -3.233283E-05 1.064729E-04 1.163148E-04 1.000697E-04 9.844570E-05 8.8 -2.618799E-05 8.603642E-05 9.408775E-05 8.106121E-05 7.993096E-05 9.0 -2.124987E-05 6.938943E-05 7.595671E-05 6.550888E-05 6.472479E-05 9.2 -1.727202E-05 5.586597E-05 6.120943E-05 5.282856E-05 5.228615E-05 9.4 -1.406009E-05 4.490670E-05 4.924511E-05 4.252159E-05 4.214726E-05 9.6 -1.146074E-05 3.604484E-05 3.956076E-05 3.416654E-05 3.390864E-05 9.8 -9.352682E-06 2.889314E-05 3.173792E-05 2.741013E-05 2.723258E-05 10.0 -7.639791E-06 2.313187E-05 2.543039E-05 2.195826E-05 2.183598E-05 10.2 -6.245620E-06 1.849823E-05 2.035309E-05 1.756759E-05 1.748319E-05 10.4 -5.109179E-06 1.477702E-05 1.627221E-05 1.403773E-05 1.397922E-05 10.6 -4.181649E-06 1.179261E-05 1.299669E-05 1.120440E-05 1.116356E-05 10.8 -3.423822E-06 9.402097E-06 1.037090E-05 8.933462E-06 8.904637E-06 11.0 -2.804109E-06 7.489499E-06 8.268372E-06 7.115683E-06 7.095044E-06 11.2 -2.296982E-06 5.960907E-06 6.586634E-06 5.662416E-06 5.647361E-06 11.4 -1.881762E-06 4.740442E-06 5.242803E-06 4.501884E-06 4.490654E-06 11.6 -1.541653E-06 3.766910E-06 4.169980E-06 3.576101E-06 3.567512E-06 11.8 -1.262985E-06 2.991039E-06 3.314261E-06 2.838318E-06 2.831575E-06 12.0 -1.034616E-06 2.373218E-06 2.632274E-06 2.250911E-06 2.245482E-06 12.2 -8.474472E-07 1.881651E-06 2.089176E-06 1.783648E-06 1.779176E-06 12.4 -6.940403E-07 1.490839E-06 1.657008E-06 1.412277E-06 1.408520E-06 12.6 -5.683087E-07 1.180365E-06 1.313362E-06 1.117362E-06 1.114158E-06 12.8 -4.652676E-07 9.338952E-07 1.040297E-06 8.833516E-07 8.805882E-07 13.0 -3.808319E-07 7.383739E-07 8.234653E-07 6.978135E-07 6.954114E-07 13.2 -3.116526E-07 5.833787E-07 6.514024E-07 5.508205E-07 5.487223E-07 13.4 -2.549831E-07 4.605948E-07 5.149546E-07 4.344536E-07 4.326162E-07 13.6 -2.085703E-07 3.633948E-07 4.068203E-07 3.424012E-07 3.407909E-07 13.8 -1.705660E-07 2.865007E-07 3.211796E-07 2.696376E-07 2.682268E-07 14.0 -1.394538E-07 2.257120E-07 2.533971E-07 2.121642E-07 2.109299E-07 14.2 -1.139897E-07 1.776885E-07 1.997834E-07 1.668024E-07 1.657244E-07 14.4 -9.315345E-08 1.397759E-07 1.574040E-07 1.310272E-07 1.300878E-07 14.6 -7.610804E-08 1.098665E-07 1.239265E-07 1.028344E-07 1.020178E-07 14.8 -6.216723E-08 8.628749E-08 9.749850E-08 8.063445E-08 7.992643E-08 15.0 -5.076834E-08 6.771257E-08 7.664932E-08 6.316755E-08 6.255521E-08 15.2 -4.145017E-08 5.309053E-08 6.021241E-08 4.943589E-08 4.890767E-08 15.4 -3.383476E-08 4.158887E-08 4.726290E-08 3.864984E-08 3.819531E-08 15.6 -2.761246E-08 3.254872E-08 3.706805E-08 3.018491E-08 2.979475E-08 15.8 -2.252961E-08 2.544897E-08 2.904764E-08 2.354760E-08 2.321346E-08 16.0 -1.837854E-08 1.987773E-08 2.274256E-08 1.834816E-08 1.806264E-08 16.2 -1.498921E-08 1.550965E-08 1.778971E-08 1.427906E-08 1.403562E-08 16.4 -1.222246E-08 1.208795E-08 1.390214E-08 1.109779E-08 1.089065E-08 16.6 -9.964433E-09 9.410050E-09 1.085321E-08 8.613278E-09 8.437363E-09 17.0 -6.618963E-09 5.680884E-09 6.593442E-09 5.164804E-09 5.038624E-09 17.5 -3.965153E-09 2.998948E-09 3.512826E-09 2.698919E-09 2.616404E-09 18.0 -2.372758E-09 1.566707E-09 1.855657E-09 1.392189E-09 1.338726E-09 18.5 -1.418390E-09 8.081731E-10 9.704134E-10 7.066098E-10 6.722531E-10 19.0 -8.470528E-10 4.103537E-10 5.013181E-10 3.512189E-10 3.293003E-10 19.5 -5.053830E-10 2.041540E-10 2.550828E-10 1.697072E-10 1.558142E-10 20.0 -3.012638E-10 9.881654E-11 1.272894E-10 7.874211E-11 6.998715E-11