! 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   1.3036244214  -2.2151389601  -1.4364654416
Cl   5.4420366040   0.5987930529   0.4781128505
O   -2.0686470436   2.2017091030   1.0500933626
N   -2.6969394896  -0.6344336125   0.6486807291
N   -2.9048693134  -1.9225199031   0.3363752419
N   -4.7952229395  -0.9991256098   1.0934891896
C   -1.6264339729   1.7446461374  -1.2770421683
C   -1.2890076174   1.3987868711   0.1946812415
C   -1.3331658817   3.2351347947  -1.4770774246
C   -3.0795809365   1.4718303544  -1.6658912868
C   -0.7031115208   0.9409256559  -2.1924708093
C   -1.3989103767  -0.0697622651   0.5441908237
C   -0.3559002118  -0.8881442471   0.6985205427
C    1.0593704964  -0.4942230117   0.6311893214
C   -3.8449669910  -0.1003467323   1.1055702863
C    1.9225228770  -1.0681409174  -0.3008560344
C    1.6101431259   0.4148293319   1.5337050308
C   -4.1674623680  -2.0930784092   0.6161404067
C    3.2672558958  -0.7411065860  -0.3632967018
C    2.9493898391   0.7618178477   1.4973750900
C    3.7665744721   0.1797013054   0.5422383141
H   -0.2307797160   1.6573516194   0.3077716022
H   -1.4460316477   3.5010477135  -2.5301481508
H   -2.0082361163   3.8721307769  -0.9056982765
H   -0.3095922385   3.4861060975  -1.1869676872
H   -3.3201059959   0.4082180617  -1.6874189860
H   -3.2600322231   1.8499552172  -2.6747514789
H   -3.7912835559   1.9730097800  -1.0083995931
H   -0.8738783152  -0.1334679903  -2.1165214483
H    0.3504845311   1.1287700860  -1.9719090179
H   -0.8703179306   1.2230615288  -3.2338046481
H   -0.5467383218  -1.9419703618   0.8695887906
H   -1.6857469403   2.1789637002   1.9334841623
H   -3.9375608280   0.9207332654   1.4295276037
H    0.9771631208   0.8524046664   2.2949033560
H   -4.6598561773  -3.0407347135   0.4621452114
H    3.9094285013  -1.1958895830  -1.1047567983
H    3.3463413816   1.4701970177   2.2109791533
*