! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.4749683773   0.3341642986  -2.1795500133
Cl   4.1812705930  -3.7059394620  -0.0030476398
O   -1.1125123713   0.3509476993  -0.8118919124
O   -1.2825546054  -0.1581455184   1.3533598307
N   -0.8451510687   2.6120832932   0.8838111998
N   -1.1272761865   3.4247901528  -0.1365778942
N   -2.5072403997   3.8182864729   1.5819036649
C   -0.3820180317   0.2484676497   0.3706778717
C   -2.3720870790  -0.3025868859  -0.6709399173
C   -2.2621433899  -0.9520556351   0.7065841822
C    0.1819687031   1.6108273001   0.7872621083
C    0.7684002159  -0.7498941858   0.2322553133
C   -3.5061297642   0.7006225696  -0.8003115255
C   -4.8640982716   0.0215244498  -0.8924419054
C    1.6310028605  -0.7787397238  -0.8625436351
C    1.0171614170  -1.6534935665   1.2613153158
C    2.6785112696  -1.6845995672  -0.9439605454
C    2.0555623997  -2.5675683836   1.2072302961
C   -1.6790835336   2.8527985276   1.8995769229
C    2.8775431496  -2.5765708958   0.0947089033
C   -2.1281052614   4.1281806222   0.3252513987
H   -2.4606752847  -1.0619773466  -1.4544190386
H   -3.1813712479  -0.9067471256   1.2905596631
H   -1.9453318762  -1.9984389326   0.6421744096
H    0.9235489398   1.9591836164   0.0718137307
H    0.6787589216   1.5125512487   1.7528509541
H   -3.3394395470   1.3053115479  -1.6948521222
H   -3.4901947995   1.3875548506   0.0511356520
H   -5.0843663852  -0.5830138556  -0.0100817389
H   -5.6609703730   0.7601045638  -0.9815305396
H   -4.9258670859  -0.6338270246  -1.7634238201
H    0.3841365160  -1.6496014366   2.1377549394
H    3.3294208138  -1.6884972249  -1.8072599274
H    2.2156195171  -3.2571725357   2.0242721238
H   -1.6386735050   2.3194345470   2.8359323981
H   -2.5965508397   4.9041197526  -0.2602956363
*