! 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  -0.4937284697  -0.9729808115  -2.2022000133
Cl   4.0591528685  -2.0488358257   0.3791042095
O   -0.7432562143   2.5765763314   0.3266188100
N   -2.3724789444  -0.6557458581   0.6852356296
N   -2.3168474441  -2.8574064565   0.7478686796
C   -0.9717111384   1.2474271586  -0.0555077387
C   -2.0096107161   0.7159760658   0.9401715618
C    0.2971613569   0.4240278135  -0.0059288098
C    0.5878739196  -0.5982306439  -0.9023322743
C    1.2130797366   0.6553819453   1.0179575192
C   -3.3442773352  -1.0933444687  -0.1717802567
C   -1.7812916432  -1.7565947650   1.2021207404
C   -0.0610391668   3.3480638767  -0.6295918814
C    1.7405945599  -1.3637918907  -0.7973498464
C    2.3691270390  -0.0917654027   1.1520339922
C    2.6211948115  -1.1003690109   0.2357328892
C   -3.2943031701  -2.4543774894  -0.1168587677
C    0.1327496237   4.7405260764  -0.1387745682
C   -0.2518634460   5.2204815748   1.0361793215
H   -1.4024496551   1.2103701062  -1.0643580355
H   -1.6201790386   0.7923607491   1.9565620049
H   -2.9076164610   1.3313172770   0.8847118498
H    1.0214473500   1.4456540995   1.7326675936
H   -3.9691889878  -0.4139210914  -0.7270700764
H   -0.9773333623  -1.6907083091   1.9195517329
H    0.9221165737   2.9173287153  -0.8687675281
H   -0.6181384224   3.3716569615  -1.5779737449
H    1.9420724261  -2.1510656476  -1.5102261656
H    3.0600225116   0.1128621110   1.9579273818
H   -3.9123364031  -3.1607701911  -0.6489251689
H    0.6439950696   5.3883767137  -0.8436562380
H   -0.0608816503   6.2526353419   1.2985872984
H   -0.7647069069   4.6222880558   1.7774235111
*