# Agua7 lambda=2: V_2(H3) [5 H2-molecule sizes]: r, R in bohrs, V in hartrees. # # # R V2(r= .90000) V2(r=1.28000) V2(r=1.44900) V2(r=1.61800) V2(r=2.00000) #==== ------------- ------------- ============= ------------- ------------- 1.6 1.173586E-02 2.580128E-02 3.255328E-02 4.402534E-02 1.023774E-01 1.8 5.525137E-03 5.323205E-03 1.051643E-03 -2.201196E-03 9.693945E-03 2.0 5.351881E-03 6.560334E-04 -7.689498E-03 -1.763015E-02 -3.161287E-02 2.2 5.222271E-03 1.190420E-03 -6.898942E-03 -1.829048E-02 -4.472582E-02 2.4 3.642140E-03 2.243534E-03 -3.391899E-03 -1.314130E-02 -4.298822E-02 2.6 1.214644E-03 2.476836E-03 -1.640020E-04 -6.960420E-03 -3.459041E-02 2.8 -1.133133E-03 1.952286E-03 1.839235E-03 -1.959002E-03 -2.452244E-02 3.0 -2.854360E-03 1.070816E-03 2.621601E-03 1.184385E-03 -1.557873E-02 3.2 -3.821088E-03 1.691090E-04 2.536783E-03 2.624172E-03 -8.932624E-03 3.4 -4.147786E-03 -5.620126E-04 1.988531E-03 2.860291E-03 -4.665123E-03 3.6 -4.029145E-03 -1.051427E-03 1.298524E-03 2.429127E-03 -2.290713E-03 3.8 -3.649451E-03 -1.303480E-03 6.687401E-04 1.749903E-03 -1.170097E-03 4.0 -3.149137E-03 -1.361458E-03 1.935625E-04 1.083798E-03 -7.483998E-04 4.2 -2.621848E-03 -1.282345E-03 -1.083139E-04 5.555972E-04 -6.410767E-04 4.4 -2.123187E-03 -1.121281E-03 -2.606124E-04 1.974906E-04 -6.272441E-04 4.6 -1.681599E-03 -9.234914E-04 -3.036938E-04 -8.847327E-06 -6.053968E-04 4.8 -1.307769E-03 -7.215415E-04 -2.784207E-04 -1.016007E-04 -5.455476E-04 5.0 -1.001664E-03 -5.359054E-04 -2.182305E-04 -1.205832E-04 -4.524584E-04 5.2 -7.574271E-04 -3.772200E-04 -1.467766E-04 -9.866030E-05 -3.426431E-04 5.4 -5.665751E-04 -2.490422E-04 -7.865316E-05 -5.927767E-05 -2.325033E-04 5.6 -4.199752E-04 -1.504093E-04 -2.140322E-05 -1.717731E-05 -1.337052E-04 5.8 -3.089639E-04 -7.787826E-05 2.226697E-05 1.964167E-05 -5.249765E-05 6.0 -2.259015E-04 -2.697427E-05 5.259004E-05 4.780168E-05 9.256956E-06 6.2 -1.643712E-04 6.886293E-06 7.132624E-05 6.675621E-05 5.260166E-05 6.4 -1.191698E-04 2.787891E-05 8.082302E-05 7.747296E-05 8.015218E-05 6.6 -8.619084E-05 3.953625E-05 8.345257E-05 8.156118E-05 9.511542E-05 6.8 -6.226134E-05 4.469163E-05 8.131926E-05 8.074870E-05 1.006661E-04 7.0 -4.497175E-05 4.552266E-05 7.614220E-05 7.660516E-05 9.960971E-05 7.2 -3.251785E-05 4.364229E-05 6.924094E-05 7.042412E-05 9.424415E-05 7.4 -2.356432E-05 4.020442E-05 6.157469E-05 6.319837E-05 8.634396E-05 7.6 -1.713243E-05 3.600559E-05 5.380359E-05 5.564426E-05 7.721031E-05 7.8 -1.251051E-05 3.157387E-05 4.635381E-05 4.824697E-05 6.774932E-05 8.0 -9.184469E-06 2.724188E-05 3.947707E-05 4.131059E-05 5.855594E-05 8.2 -6.784905E-06 2.320427E-05 3.330056E-05 3.500463E-05 4.999122E-05 8.4 -5.047460E-06 1.956121E-05 2.786653E-05 2.940327E-05 4.224773E-05 8.6 -3.783538E-06 1.635055E-05 2.316223E-05 2.451654E-05 3.540184E-05 8.8 -2.858858E-06 1.357079E-05 1.914180E-05 2.031386E-05 2.945359E-05 9.0 -2.177911E-06 1.119716E-05 1.574162E-05 1.674119E-05 2.435601E-05 9.2 -1.672761E-06 9.192560E-06 1.289072E-05 1.373295E-05 2.003594E-05 9.4 -1.295043E-06 7.514688E-06 1.051752E-05 1.122005E-05 1.640825E-05 9.6 -1.010245E-06 6.120591E-06 8.553917E-06 9.134914E-06 1.338518E-05 9.8 -7.936710E-07 4.969351E-06 6.937549E-06 7.414527E-06 1.088212E-05 10.0 -6.275719E-07 4.023550E-06 5.612852E-06 6.001949E-06 8.820888E-06 10.2 -4.991251E-07 3.249917E-06 4.531295E-06 4.846938E-06 7.131414E-06 10.4 -3.990100E-07 2.619472E-06 3.651137E-06 3.905934E-06 5.752199E-06 10.6 -3.204026E-07 2.107364E-06 2.936913E-06 3.141688E-06 4.630180E-06 10.8 -2.582675E-07 1.692540E-06 2.358783E-06 2.522704E-06 3.720163E-06 11.0 -2.088568E-07 1.357334E-06 1.891839E-06 2.022583E-06 2.984050E-06 11.2 -1.693561E-07 1.087043E-06 1.515430E-06 1.619363E-06 2.390004E-06 11.4 -1.376324E-07 8.695073E-07 1.212525E-06 1.294889E-06 1.911603E-06 11.6 -1.120540E-07 6.947227E-07 9.691461E-07 1.034226E-06 1.527047E-06 11.8 -9.136209E-08 5.544983E-07 7.738671E-07 8.251458E-07 1.218442E-06 12.0 -7.457685E-08 4.421525E-07 6.173786E-07 6.576738E-07 9.711592E-07 12.2 -6.092976E-08 3.522529E-07 4.921189E-07 5.236994E-07 7.732841E-07 12.4 -4.981367E-08 2.803953E-07 3.919610E-07 4.166468E-07 6.151428E-07 12.6 -4.074585E-08 2.230181E-07 3.119523E-07 3.311979E-07 4.889022E-07 12.8 -3.334031E-08 1.772469E-07 2.480966E-07 2.630609E-07 3.882348E-07 13.0 -2.728692E-08 1.407665E-07 1.971757E-07 2.087791E-07 3.080403E-07 13.2 -2.233546E-08 1.117155E-07 1.566016E-07 1.655734E-07 2.442150E-07 13.4 -1.828337E-08 8.859897E-08 1.242961E-07 1.312122E-07 1.934628E-07 13.6 -1.496616E-08 7.021863E-08 9.859251E-08 1.039070E-07 1.531405E-07 13.8 -1.224996E-08 5.561464E-08 7.815570E-08 8.222550E-08 1.211306E-07 14.0 -1.002563E-08 4.401923E-08 6.191722E-08 6.502219E-08 9.573971E-08 14.2 -8.204034E-09 3.481883E-08 4.902286E-08 5.138205E-08 7.561457E-08 14.4 -6.712295E-09 2.752359E-08 3.879035E-08 4.057473E-08 5.967514E-08 14.6 -5.490783E-09 2.174276E-08 3.067517E-08 3.201789E-08 4.706022E-08 14.8 -4.490668E-09 1.716490E-08 2.424307E-08 2.524757E-08 3.708374E-08 15.0 -3.671949E-09 1.354198E-08 1.914804E-08 1.989448E-08 2.919962E-08 15.2 -3.001844E-09 1.067663E-08 1.511451E-08 1.566484E-08 2.297358E-08 15.4 -2.453485E-09 8.411861E-09 1.192324E-08 1.232519E-08 1.806053E-08 15.6 -2.004848E-09 6.622933E-09 9.399835E-09 9.690085E-09 1.418644E-08 15.8 -1.637879E-09 5.210776E-09 7.405716E-09 7.612358E-09 1.113390E-08 16.0 -1.337779E-09 4.096758E-09 5.830810E-09 5.975279E-09 8.730517E-09 16.2 -1.092420E-09 3.218515E-09 4.587742E-09 4.686331E-09 6.839714E-09 16.4 -8.918639E-10 2.526609E-09 3.607195E-09 3.672236E-09 5.353354E-09 16.6 -7.279682E-10 1.981877E-09 2.834212E-09 2.874991E-09 4.185881E-09 17.0 -4.846855E-10 1.216387E-09 1.745800E-09 1.757142E-09 2.551228E-09 17.5 -2.911625E-10 6.574784E-10 9.484626E-10 9.440332E-10 1.365088E-09 18.0 -1.746907E-10 3.531786E-10 5.125039E-10 5.034954E-10 7.245054E-10 18.5 -1.046865E-10 1.883832E-10 2.752604E-10 2.662775E-10 3.808826E-10 19.0 -6.266488E-11 9.966572E-11 1.468247E-10 1.394262E-10 1.979694E-10 19.5 -3.747113E-11 5.222436E-11 7.769566E-11 7.213244E-11 1.014706E-10 20.0 -2.238374E-11 2.705031E-11 4.073082E-11 3.676590E-11 5.109897E-11