! 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  -3.1558948235   3.3551316752   0.6320500194
N   -0.6296776266  -2.4183748441  -0.4611119448
N   -0.2568283806  -2.7345596267  -1.7063679097
N   -2.4421765074  -2.2257647791  -1.6458637100
N    2.4341895301  -1.0140262520   2.8775237786
C    1.0629577007  -0.9558991911   0.6506338279
C    2.0991080524  -0.8598892096  -0.4895606140
C    0.3073330195  -2.3184057442   0.6234408510
C    2.9259715655   0.4181133702  -0.4857095044
C    0.0502781704   0.1804052348   0.6605989216
C    3.9368489981   0.4428047565  -1.6254235541
C    1.8163303095  -0.9694202949   1.9069255714
C   -0.4379499552   0.6895994098  -0.5396171064
C   -0.4824595708   0.6644726835   1.8504081333
C    4.7319268453   1.7378300015  -1.6684507787
C   -1.4243746261   1.6618971554  -0.5563884312
C   -1.4663739765   1.6415348265   1.8513786401
C   -1.9274763973  -2.1063421084  -0.4479977302
C   -1.9301688266   2.1334321328   0.6435013503
C   -1.3739193242  -2.6053032710  -2.3725756691
H    1.5835671357  -0.9664222099  -1.4447720466
H    2.7588620307  -1.7280667772  -0.4109262514
H   -0.2502301963  -2.4443114181   1.5502887290
H    1.0224516274  -3.1362609257   0.5504293467
H    3.4570598266   0.5215584457   0.4659592158
H    2.2724007400   1.2910373847  -0.5676289298
H    3.4148460902   0.3031061242  -2.5766543892
H    4.6198785015  -0.4055396990  -1.5251025177
H   -0.0571435302   0.3408628833  -1.4903014565
H   -0.1396476843   0.2886994862   2.8062719919
H    5.2817821351   1.8985546001  -0.7392373495
H    4.0772189912   2.5987204549  -1.8154565137
H    5.4573317793   1.7339846495  -2.4827347274
H   -1.7881594461   2.0435528583  -1.5000387188
H   -1.8609512791   2.0085176619   2.7884354982
H   -2.4530879636  -1.8205371277   0.4494389596
H   -1.4227874803  -2.8036826835  -3.4314625336
*