! 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  -0.5115843876  -0.7359220304  -1.6584785353
Cl   4.7616951076  -0.1627850585  -1.3197983567
O   -1.6190285497  -0.4971580432   0.9918697925
O   -0.4761930277   0.2676294265   2.7318947218
N   -1.2389717304   2.2201006719  -0.2593434365
N   -2.3568955106   2.0147275316  -0.9579163744
N   -0.7816920724   2.9408632459  -2.2533679272
C   -0.6421473873   0.4133659245   1.3461962614
C   -1.3701945912  -1.6638952384   1.7682414089
C   -0.7947759544  -1.0771395478   3.0641512213
C   -2.6471973139  -2.4515680723   1.9553937407
C   -1.1322108540   1.8484870686   1.1266598559
C    0.6940411844   0.1805778056   0.6328066522
C   -3.2463909748  -3.0227106595   0.6735637771
C    0.8364037798  -0.2850456874  -0.6736945092
C    1.8603455004   0.5417189520   1.3057825889
C   -2.3615667813  -4.0439305910  -0.0263712975
C    2.0839935647  -0.4001236897  -1.2743866380
C    3.1132423846   0.4465446881   0.7282669789
C   -0.3080313089   2.7718756044  -1.0442982931
C    3.2121313823  -0.0308862950  -0.5670858906
C   -2.0375612405   2.4611979154  -2.1443092138
H   -0.6108908664  -2.2815765675   1.2721768969
H   -1.5228473216  -1.0712174861   3.8795128138
H    0.0937305070  -1.6183604514   3.3970451973
H   -3.3816211542  -1.8143421263   2.4578383113
H   -2.4277272090  -3.2708346198   2.6482754973
H   -0.4362436530   2.5337685417   1.6114192631
H   -2.1094279145   1.9752903649   1.5929694302
H   -3.4901018734  -2.2108378753  -0.0168902660
H   -4.1990929954  -3.4940883201   0.9305904624
H    1.7953402945   0.9152429179   2.3184416254
H   -1.4341257874  -3.6044702356  -0.3963722957
H   -2.0954831629  -4.8660308202   0.6417485351
H   -2.8732118825  -4.4764934514  -0.8874592183
H    2.1648753239  -0.7686129676  -2.2875028600
H    3.9922493271   0.7406963785   1.2842479662
H    0.6767818119   3.0375964391  -0.6919651360
H   -2.7370613848   2.4467106395  -2.9654546553
*