! 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   2.4136552111   0.2965373740  -2.8304654782
Cl  -7.0032127045  -0.7058659687   1.1171621541
O    4.1262705355   0.7531964521  -0.4536444376
O    3.3235341441   0.3309754016   1.5885358411
O   -2.1636835296   1.5624318022  -1.2803588948
N    2.2079098863  -2.1954089594   0.5565161076
N    1.1785774487  -2.5842267596  -0.1997434293
N    0.8352418739  -3.1485203386   1.9391387315
C    3.1156008028   0.0723470726   0.2332761705
C    4.7342154984   1.7140531979   0.4137168919
C    3.2978440989  -1.4337691994   0.0023777078
C    3.8579221081   1.6422747120   1.6605756248
C    1.7221780127   0.5273295054  -0.1957712849
C    6.1820228581   1.3513280970   0.6635747992
C    1.3219921851   0.6258461897  -1.5253695114
C    0.7543626229   0.7790915324   0.7729941616
C    0.0226985788   0.9545412165  -1.8782931393
C   -0.5461914579   1.1220903106   0.4512731588
C   -0.9089993010   1.2009628103  -0.8843087814
C    1.9875056969  -2.5323768664   1.8306775658
C    0.3835725592  -3.1534174692   0.6688289037
C   -3.2536647199   1.0005317589  -0.6783553970
C   -4.3850561344   1.7949782200  -0.5569312812
C   -3.2744635003  -0.3215619223  -0.2512452463
C   -5.5439645230   1.2686628845  -0.0099632354
C   -4.4304474344  -0.8444678685   0.3065766592
C   -5.5580918469  -0.0475665191   0.4241622584
H    4.6693924613   2.6984764959  -0.0562608592
H    4.2342626751  -1.7567756516   0.4585444856
H    3.3488618283  -1.6537718315  -1.0612245063
H    4.4134551736   1.7413371896   2.5926398155
H    3.0655850214   2.3980658223   1.6462668525
H    6.7368352493   1.2731230997  -0.2719034542
H    6.6621234253   2.1235583617   1.2660535612
H    6.2728366746   0.4029582069   1.1971512570
H    1.0176071174   0.7069954848   1.8188789295
H   -0.2680537738   1.0155031571  -2.9187722255
H   -1.2596249465   1.3215653298   1.2402261491
H    2.6835962216  -2.3190715579   2.6264077519
H   -0.5558143304  -3.5961565994   0.3748232947
H   -4.3646654414   2.8232896541  -0.8945604967
H   -2.4036113192  -0.9566301227  -0.3517295172
H   -6.4243667914   1.8904102299   0.0803203452
H   -4.4440726228  -1.8736134205   0.6391412219
*