! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.4306077525  -1.2741795277   0.4112171318
O    3.3539363865   1.6058559735   0.4202892052
O    0.0849303343  -0.5998874165   1.6280563496
N    1.7990371161  -0.0138379786   0.2556742319
N    0.3149533972  -1.7505837274  -0.3047458454
N   -0.3371183016  -3.7603530640  -0.9273457382
C    2.2153097742   1.1411203204   1.1052843714
C    2.8979992687  -0.3933362488  -0.6781066779
C    4.0162028370   0.4697463598  -0.0837181032
C    1.1748970072   2.2522969941   1.1333073384
C    2.5979684767   0.7173020250   2.5236359240
C    3.2869524965  -1.8634393389  -0.6112725812
C    2.6572088265   0.0386789329  -2.1210982315
C    0.7754737362   2.8151000567  -0.2277569640
C    0.7250377641  -0.7340875557   0.6056599747
C   -0.6545764583   3.3699004406  -0.2322423945
C   -1.6649800491   2.2684098908  -0.0766308106
C   -0.1130684903  -1.6323524444  -1.6038669392
C    0.1387129479  -3.0494865702   0.0538576153
C   -1.9321099619   1.4121490523  -1.1432226033
C   -2.2964817372   2.0165205510   1.1373705271
C   -0.5093413525  -2.8811074709  -1.9650302530
C   -2.7827205748   0.3271918765  -1.0058168434
C   -3.1502867854   0.9341457972   1.2971481851
C   -3.3786518113   0.0925740498   0.2225488470
H    4.5589195558  -0.0666827251   0.7043342127
H    4.7383095048   0.7820434972  -0.8372844233
H    1.5688770251   3.0535292619   1.7643480412
H    0.3021942765   1.8692254556   1.6612784274
H    3.1339222980   1.5387451631   3.0007213118
H    3.2455969368  -0.1600413022   2.5364157389
H    1.7263155523   0.4948539922   3.1319886143
H    4.2837002238  -1.9774600540  -1.0407156389
H    2.6225076457  -2.5072645354  -1.1850022975
H    3.3289988478  -2.2265365496   0.4164004256
H    2.4105004300   1.0975482607  -2.1976715765
H    3.5701033342  -0.1293307885  -2.6941461790
H    1.8726040266  -0.5347372492  -2.6062162908
H    1.4669046264   3.6035117210  -0.5293242020
H    0.8380336198   2.0423102598  -0.9975822471
H   -0.8245424142   3.8973740180  -1.1735649536
H   -0.7724975686   4.1070139638   0.5658586875
H   -0.1485093234  -0.6929053430  -2.1243483119
H    0.4029681018  -3.4149593480   1.0337463182
H   -1.4644031753   1.5893099164  -2.1050958036
H   -2.1184491583   2.6693114216   1.9835701279
H   -0.9210933264  -3.1888501570  -2.9126321031
H   -2.9689756339  -0.3298988520  -1.8443739199
H   -3.6240418023   0.7520109465   2.2522884719
*