! 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   0.7300932677  -1.1296780941  -2.1490276316
Cl   5.2182412662  -0.7140360233   0.7359943629
O   -1.1190450050   1.2742447744   1.0552646991
N   -2.8780107077  -0.8949425905   0.4207440398
N   -4.8279515568  -0.7319112530  -0.5930811770
C   -0.7108239029   0.2414522735   0.1978167983
C   -1.4521582352  -1.0456295980   0.5780181854
C    0.7799301431   0.0232640439   0.3104565652
C    1.5130713488  -0.6078723382  -0.6903835139
C    1.4693199385   0.4140394403   1.4543639362
C   -3.7587574954  -0.4181019933   1.3505938357
C   -3.5699735558  -1.0562041431  -0.7299477797
C   -1.8525731541   2.3290009275   0.4527511818
C    2.8747218794  -0.8401438806  -0.5773831007
C    2.8282797110   0.1933439444   1.5996329711
C    3.5203889684  -0.4330459127   0.5771950278
C   -4.9583214828  -0.3301167529   0.7060327628
C   -1.0571299353   3.0826257327  -0.5652657070
C   -1.4410734243   3.2241745200  -1.8274984832
H   -0.9519719448   0.4852707088  -0.8440848531
H   -1.1174599989  -1.8778077755  -0.0411047381
H   -1.2361937845  -1.3089332327   1.6136812672
H    0.9354990028   0.9081775520   2.2540871519
H   -3.4664827939  -0.1975729503   2.3635555827
H   -3.1025244099  -1.4241057042  -1.6316018008
H   -2.7867439578   1.9636169676   0.0093297789
H   -2.1284149836   2.9891494865   1.2782238651
H    3.4178782981  -1.3280122960  -1.3748977577
H    3.3361863460   0.5089897917   2.5004025240
H   -5.9045725261  -0.0057286596   1.1109768769
H   -0.1299324213   3.5328651459  -0.2228353151
H   -0.8597567724   3.7949714647  -2.5404514890
H   -2.3594642165   2.7806897973  -2.1960327483
*