! 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   0.5986167202  -1.8687128874  -2.0234746148
Cl   5.3145974428  -1.1430223263   0.3976543949
O   -0.8076834960   1.4888458266   0.4799666229
N   -2.7645339965  -0.5564230706   0.5102774400
N   -4.7215846961   0.3935731957   0.8589380363
C   -0.5318537627   0.2430915640  -0.0997875989
C   -1.3526543437  -0.8192100382   0.6418964684
C    0.9396137592  -0.0824877787  -0.0043052600
C    1.5347481615  -1.0441231458  -0.8162206705
C    1.7488717897   0.5438277036   0.9381057011
C   -3.5457393441  -0.8703977507  -0.5685818539
C   -3.5151167059   0.2138480351   1.3282705467
C   -1.4737374111   2.4114622128  -0.3683193314
C    2.8747873398  -1.3795327983  -0.7088227132
C    3.0911186713   0.2303224670   1.0719023382
C    3.6422170363  -0.7334632053   0.2449018119
C   -4.7520925611  -0.2803793144  -0.3291707474
C   -1.7929150305   3.6292798185   0.4315040551
C   -3.0316022110   4.0231847263   0.6952918865
H   -0.8273538445   0.2371193406  -1.1567692924
H   -1.1403449023  -1.8182462827   0.2627971779
H   -1.0909872865  -0.8120243927   1.7005838124
H    1.3257265449   1.3002547220   1.5842970948
H   -3.1888525753  -1.4814329503  -1.3818127659
H   -3.1274962329   0.6098028400   2.2542399934
H   -0.8302163815   2.6761169604  -1.2178319570
H   -2.3945696876   1.9802176538  -0.7780503408
H    3.3080918618  -2.1278276232  -1.3579688699
H    3.6944427252   0.7342311163   1.8141605637
H   -5.6378864618  -0.3135495703  -0.9448538341
H   -0.9492584956   4.2078036359   0.7960159613
H   -3.2302893648   4.9220140354   1.2652693136
H   -3.8946254689   3.4625302441   0.3545469152
*