# Agua7 lambda=4: V_4(H3) [5 H2-molecule sizes]: r, R in bohrs, V in hartrees. # # # R V4(r= .90000) V4(r=1.28000) V4(r=1.44900) V4(r=1.61800) V4(r=2.00000) #==== ------------- ------------- ============= ------------- ------------- 1.6 8.461440E-03 3.025071E-02 4.752530E-02 7.089287E-02 1.532974E-01 1.8 4.727562E-03 1.745331E-02 2.771502E-02 4.132568E-02 8.605048E-02 2.0 2.063403E-03 8.585759E-03 1.451111E-02 2.272234E-02 4.968471E-02 2.2 5.010984E-04 2.987458E-03 5.937020E-03 1.051119E-02 2.711859E-02 2.4 -2.083551E-04 6.860556E-05 1.124578E-03 3.200489E-03 1.253346E-02 2.6 -4.124564E-04 -1.042760E-03 -9.849162E-04 -4.218447E-04 3.689690E-03 2.8 -3.866379E-04 -1.177410E-03 -1.490008E-03 -1.646000E-03 -8.044338E-04 3.0 -2.921173E-04 -9.216842E-04 -1.256795E-03 -1.613808E-03 -2.367435E-03 3.2 -2.012056E-04 -5.988135E-04 -8.206109E-04 -1.122126E-03 -2.336799E-03 3.4 -1.354039E-04 -3.415741E-04 -4.357245E-04 -6.047002E-04 -1.698510E-03 3.6 -9.387213E-05 -1.769214E-04 -1.785384E-04 -2.291285E-04 -1.010875E-03 3.8 -6.924890E-05 -8.767814E-05 -3.946381E-05 -1.512225E-05 -4.980613E-04 4.0 -5.447000E-05 -4.676759E-05 1.850896E-05 7.681997E-05 -1.917617E-04 4.2 -4.472051E-05 -3.159766E-05 3.129178E-05 9.585084E-05 -4.423734E-05 4.4 -3.732563E-05 -2.751514E-05 2.423190E-05 8.050565E-05 6.608966E-06 4.6 -3.106010E-05 -2.665553E-05 1.191578E-05 5.472154E-05 1.003788E-05 4.8 -2.549416E-05 -2.563087E-05 1.134958E-06 3.059262E-05 -3.182844E-06 5.0 -2.054909E-05 -2.350440E-05 -5.941286E-06 1.261390E-05 -1.740368E-05 5.2 -1.625117E-05 -2.043139E-05 -9.412360E-06 1.235453E-06 -2.666448E-05 5.4 -1.262159E-05 -1.689723E-05 -1.021377E-05 -4.794743E-06 -3.012965E-05 5.6 -9.642945E-06 -1.336319E-05 -9.382402E-06 -7.132797E-06 -2.909256E-05 5.8 -7.261145E-06 -1.014581E-05 -7.756173E-06 -7.245367E-06 -2.533433E-05 6.0 -5.399219E-06 -7.409503E-06 -5.904577E-06 -6.218867E-06 -2.038990E-05 6.2 -3.971620E-06 -5.201806E-06 -4.160955E-06 -4.763962E-06 -1.532646E-05 6.4 -2.894879E-06 -3.496102E-06 -2.685930E-06 -3.293844E-06 -1.076464E-05 6.6 -2.093957E-06 -2.227154E-06 -1.529078E-06 -2.014696E-06 -6.986514E-06 6.8 -1.505114E-06 -1.315878E-06 -6.770282E-07 -1.002665E-06 -4.053043E-06 7.0 -1.076404E-06 -6.843497E-07 -8.642824E-08 -2.603989E-07 -1.900048E-06 7.2 -7.668079E-07 -2.635437E-07 2.956964E-07 2.453932E-07 -4.056823E-07 7.4 -5.447225E-07 3.686153E-09 5.206933E-07 5.610889E-07 5.673413E-07 7.6 -3.862736E-07 1.624202E-07 6.329906E-07 7.335258E-07 1.148362E-06 7.8 -2.737085E-07 2.469065E-07 6.683707E-07 8.039348E-07 1.447959E-06 8.0 -1.939961E-07 2.823561E-07 6.541738E-07 8.057621E-07 1.554766E-06 8.2 -1.376726E-07 2.868096E-07 6.103973E-07 7.645976E-07 1.536434E-06 8.4 -9.792464E-08 2.728280E-07 5.510884E-07 6.991006E-07 1.442513E-06 8.6 -6.988216E-08 2.489112E-07 4.857084E-07 6.222787E-07 1.307917E-06 8.8 -5.008486E-08 2.206268E-07 4.203227E-07 5.427743E-07 1.156278E-06 9.0 -3.608570E-08 1.914765E-07 3.585695E-07 4.660016E-07 1.002860E-06 9.2 -2.616076E-08 1.635413E-07 3.024091E-07 3.950761E-07 8.569229E-07 9.4 -1.909901E-08 1.379499E-07 2.526845E-07 3.315364E-07 7.235616E-07 9.6 -1.405146E-08 1.152121E-07 2.095259E-07 2.758838E-07 6.050802E-07 9.8 -1.042357E-08 9.545035E-08 1.726355E-07 2.279710E-07 5.019902E-07 10.0 -7.799204E-09 7.855701E-08 1.414815E-07 1.872746E-07 4.137143E-07 10.2 -5.886927E-09 6.429960E-08 1.154261E-07 1.530793E-07 3.390687E-07 10.4 -4.482376E-09 5.238825E-08 9.380701E-08 1.245983E-07 2.765834E-07 10.6 -3.441934E-09 4.251793E-08 7.598593E-08 1.010482E-07 2.247071E-07 10.8 -2.664353E-09 3.439337E-08 6.137570E-08 8.169268E-08 1.819311E-07 11.0 -2.077969E-09 2.774263E-08 4.945279E-08 6.586547E-08 1.468592E-07 11.2 -1.631801E-09 2.232342E-08 3.976078E-08 5.297905E-08 1.182415E-07 11.4 -1.289363E-09 1.792482E-08 3.190841E-08 4.252556E-08 9.498526E-08 11.6 -1.024365E-09 1.436638E-08 2.556465E-08 3.407243E-08 7.615168E-08 11.8 -8.177174E-10 1.149572E-08 2.045229E-08 2.725551E-08 6.094539E-08 12.0 -6.554384E-10 9.185512E-09 1.634111E-08 2.177112E-08 4.869960E-08 12.2 -5.271984E-10 7.330235E-09 1.304121E-08 1.736791E-08 3.886021E-08 12.4 -4.252934E-10 5.843024E-09 1.039685E-08 1.383917E-08 3.096997E-08 12.6 -3.439229E-10 4.652767E-09 8.280854E-09 1.101577E-08 2.465380E-08 12.8 -2.786789E-10 3.701518E-09 6.589835E-09 8.759943E-09 1.960548E-08 13.0 -2.261808E-10 2.942236E-09 5.239988E-09 6.959897E-09 1.557608E-08 13.2 -1.838137E-10 2.336863E-09 4.163592E-09 5.525193E-09 1.236393E-08 13.4 -1.495386E-10 1.854688E-09 3.306051E-09 4.382869E-09 9.806149E-09 13.6 -1.217543E-10 1.470992E-09 2.623450E-09 3.474206E-09 7.771500E-09 13.8 -9.919474E-11 1.165919E-09 2.080524E-09 2.752039E-09 6.154506E-09 14.0 -8.085346E-11 9.235453E-10 1.649004E-09 2.178556E-09 4.870547E-09 14.2 -6.592626E-11 7.311238E-10 1.306261E-09 1.723489E-09 3.851855E-09 14.4 -5.376778E-11 5.784624E-10 1.034203E-09 1.362643E-09 3.044238E-09 14.6 -4.385836E-11 4.574226E-10 8.183809E-10 1.076703E-09 2.404420E-09 14.8 -3.577823E-11 3.615126E-10 6.472678E-10 8.502645E-10 1.897885E-09 15.0 -2.918752E-11 2.855591E-10 5.116759E-10 6.710576E-10 1.497133E-09 15.2 -2.381044E-11 2.254434E-10 4.042878E-10 5.293154E-10 1.180275E-09 15.4 -1.942289E-11 1.778890E-10 3.192806E-10 4.172711E-10 9.299036E-10 15.6 -1.584252E-11 1.402911E-10 2.520234E-10 3.287534E-10 7.321896E-10 15.8 -1.292079E-11 1.105809E-10 1.988360E-10 2.588618E-10 5.761522E-10 16.0 -1.053659E-11 8.711568E-11 1.567955E-10 2.037082E-10 4.530803E-10 16.2 -8.591158E-12 6.859242E-11 1.235818E-10 1.602092E-10 3.560675E-10 16.4 -7.003896E-12 5.397785E-11 9.735431E-11 1.259214E-10 2.796422E-10 16.6 -5.709009E-12 4.245316E-11 7.665343E-11 9.890967E-11 2.194719E-10 17.0 -3.791350E-12 2.621446E-11 4.744540E-11 6.090715E-11 1.349007E-10 17.5 -2.270820E-12 1.429997E-11 2.596691E-11 3.309554E-11 7.311035E-11 18.0 -1.358698E-12 7.768556E-12 1.415929E-11 1.789912E-11 3.942003E-11 18.5 -8.121250E-13 4.201272E-12 7.689849E-12 9.630062E-12 2.113309E-11 19.0 -4.849494E-13 2.260662E-12 4.157899E-12 5.150785E-12 1.125579E-11 19.5 -2.893081E-13 1.209554E-12 2.237127E-12 2.736510E-12 5.949969E-12 20.0 -1.724392E-13 6.429782E-13 1.196998E-12 1.442528E-12 3.117476E-12