! 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   0.4592288439  -1.1339108590   2.2562147150
Cl   0.7682635998  -5.2573745537  -1.1010546819
O   -0.5778550532   1.0826109633   0.6245156998
O    0.0618697530   1.3470031024  -1.4836978105
N    1.6955400671   2.6893366734   0.4555634987
N    1.5152388083   3.1229451915   1.7038866543
N    1.5621309287   4.8456411830   0.2741736658
C    0.4120211885   0.7270902453  -0.2836009805
C   -1.7997381231   1.2826180492  -0.0813523873
C   -1.3533760834   1.3478970605  -1.5511350159
C   -2.8014902456   0.1752651599   0.2021158364
C    1.7668033912   1.2849062106   0.1564043873
C    0.5103827918  -0.7899281459  -0.4580521346
C   -4.1539565445   0.3940918721  -0.4737453430
C    0.5212638179  -1.6801201603   0.6151915393
C    0.6157759519  -1.3327102268  -1.7350597856
C   -4.9305921380   1.5943894984   0.0510791477
C    0.6000086510  -3.0516774068   0.4266585096
C    0.6951940004  -2.6979494945  -1.9528436682
C    1.7139669219   3.7247961657  -0.3881671059
C    0.6794485865  -3.5486815330  -0.8622116506
C    1.4445231711   4.4190829807   1.5477207265
H   -2.1976819816   2.2455378492   0.2495711680
H   -1.7160305212   0.4872444779  -2.1251678048
H   -1.6750830583   2.2563425973  -2.0598079510
H   -2.9464260627   0.0949966312   1.2832934706
H   -2.3827873136  -0.7801494342  -0.1292736048
H    2.4932220736   1.1197079498  -0.6393319799
H    2.1313288632   0.7733299633   1.0440766217
H   -4.7533088108  -0.5074475016  -0.3269668060
H   -4.0256938309   0.4855981687  -1.5575010588
H    0.6335944626  -0.6752799470  -2.5933995897
H   -5.0691061361   1.5343282056   1.1327263511
H   -4.4357278724   2.5427953160  -0.1645470843
H   -5.9214169607   1.6437599661  -0.4027762458
H    0.5993399142  -3.7188655621   1.2775578791
H    0.7667304547  -3.0843847806  -2.9599274278
H    1.8514963430   3.6180939368  -1.4528238437
H    1.3072522679   5.0852525696   2.3858416042
*