! 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   0.5426058928   0.2189474018  -2.8805097537
Cl   3.8074299643  -2.3841892643   0.4608003420
O   -1.1677718559   1.9787871687   0.7742823557
N   -2.4196582399  -0.6744607541   0.2925833600
N   -2.2885786449  -2.6465887206   1.2693062806
C   -0.9579140914   1.2085398902  -0.3835524553
C   -2.1970213920   0.3552749572  -0.6908749910
C    0.2553607325   0.3365057891  -0.1798103206
C    0.9838232250  -0.1755738006  -1.2491133763
C    0.6585299980  -0.0342245583   1.1003765223
C   -2.9314419352  -0.5182895192   1.5512165428
C   -2.0395034453  -1.9675560708   0.1822081031
C   -1.6659407566   3.2731637739   0.5324906849
C    2.0770896585  -1.0087304326  -1.0704228806
C    1.7420217329  -0.8691160568   1.3115385766
C    2.4455517188  -1.3475559865   0.2193771244
C   -2.8458604017  -1.7489549505   2.1348288223
C   -0.6126587711   4.2641457245   0.1495183112
C    0.6960373237   4.0479243278   0.1373161769
H   -0.7960263043   1.8574294048  -1.2523055514
H   -3.0785349753   0.9951839865  -0.7530112993
H   -2.0866937763  -0.1201860667  -1.6650116582
H    0.1172726280   0.3354192612   1.9599519766
H   -3.3159399812   0.4215927226   1.9091687800
H   -1.5956542830  -2.3561218414  -0.7223901825
H   -2.4521959446   3.2674227158  -0.2344547999
H   -2.1559228840   3.6031458620   1.4534213457
H    2.6284031355  -1.3816628598  -1.9222547876
H    2.0302053625  -1.1399187230   2.3177765781
H   -3.1621461417  -2.0344727470   3.1264396008
H   -0.9989961349   5.2406678839  -0.1279988149
H    1.3838279265   4.8318866309  -0.1516715278
H    1.1381657472   3.0980234575   0.4115702665
*