! 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   1.5897414737   1.7636055003   1.9232904235
Cl   4.3492424630  -0.6938766021  -1.9154141099
O   -1.9116930462  -0.5914567070   0.3379044316
O   -0.9409098083   0.2494509390   2.1627778453
N   -1.3815215096   1.9724426206  -1.0305112623
N   -0.3277115705   2.6012710215  -1.5557918679
N   -1.7013403433   1.8909083785  -3.1735660140
C   -0.9724154556   0.3413196934   0.7675245597
C   -1.8524829496  -1.6919579552   1.2422287039
C   -1.4824434060  -1.0029766301   2.5558840644
C   -3.1852322755  -2.4105032900   1.2500645825
C   -1.4788881924   1.7383059991   0.3867295659
C    0.3965965660   0.0602896385   0.1474532613
C   -3.2361117491  -3.5839834821   2.2258152830
C    1.5729579288   0.6633954778   0.5861442995
C    0.4878538121  -0.7745023284  -0.9618468373
C   -2.2712807073  -4.7155225956   1.8995279258
C    2.7902925570   0.4349537168  -0.0368720205
C    1.6887557287  -1.0216281779  -1.6047218614
C   -2.1887990517   1.5469060812  -2.0063735001
C    2.8351422726  -0.4101733696  -1.1313083008
C   -0.5627665517   2.5310210610  -2.8399459387
H   -1.0514232766  -2.3740644638   0.9317133883
H   -2.3577662745  -0.8295060759   3.1896936175
H   -0.7468960530  -1.5696378610   3.1301039491
H   -3.4014946544  -2.7716422241   0.2402819134
H   -3.9676915010  -1.6901723244   1.5064102331
H   -0.9000511863   2.5081704846   0.8911220569
H   -2.5182764890   1.8372537781   0.7009219286
H   -4.2558496060  -3.9755307891   2.2243329724
H   -3.0587783837  -3.2316203331   3.2466954692
H   -0.4035147090  -1.2505329013  -1.3459284006
H   -2.4154920201  -5.0780333427   0.8797232412
H   -1.2262885728  -4.4168429003   1.9975039150
H   -2.4240876761  -5.5606725257   2.5719350256
H    3.6873061608   0.9176799869   0.3253446300
H    1.7205722284  -1.6793333914  -2.4620285551
H   -3.1065239472   1.0110600170  -1.8220807615
H    0.1093564848   2.9626398459  -3.5654567520
*