! 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   0.9687224230   1.3443292347  -1.4420112316
Cl  -6.8716168717  -0.8084747638  -1.9186148495
O    3.9106603670  -1.2961744667   0.7306484144
O    3.4983680584   0.0095723077  -1.0194697223
O   -2.2666074065  -0.9301491797   1.6964346601
N    3.1630215664   2.2777237263   0.8380654187
N    2.0790005529   2.6868826532   1.5009338917
N    2.6645441357   4.1916269639  -0.0504010003
C    3.2059541077  -0.1527124801   0.3295126099
C    4.0915198608  -2.1444234686  -0.4075691863
C    3.7949341730   1.0173698886   1.1230980764
C    3.5416454209  -1.2962110407  -1.5604258685
C    1.7107185305  -0.3347597934   0.6009958856
C    3.3960743734  -3.4759763377  -0.2427665431
C    0.6813115898   0.2783685371  -0.1086075571
C    1.3357845046  -1.1309463164   1.6829612744
C   -0.6543189911   0.0864894527   0.2203299795
C    0.0163446634  -1.3383611425   2.0338552645
C   -0.9840532797  -0.7293121357   1.2903937213
C    3.4988829922   3.1820748825  -0.0855465095
C    1.8151781129   3.8359505575   0.9339337220
C   -3.2984410136  -0.8766079614   0.7992996798
C   -3.2802994189  -1.6121612105  -0.3788295754
C   -4.4057696560  -0.1149135693   1.1380575563
C   -4.3806140275  -1.5841528027  -1.2201323507
C   -5.5124678553  -0.0958623034   0.3028066743
C   -5.4906144753  -0.8289873548  -0.8722560734
H    5.1672315652  -2.3052250927  -0.5252233502
H    4.8566672134   1.1023987563   0.8890785582
H    3.6994030268   0.8224739576   2.1904279360
H    4.1891217235  -1.2918899374  -2.4364946183
H    2.5442697660  -1.6332638810  -1.8699683954
H    3.7774588523  -4.0201816623   0.6217301323
H    3.5761331325  -4.0947309629  -1.1237261189
H    2.3170528122  -3.3597174192  -0.1290159196
H    2.1010804694  -1.6188226891   2.2708988699
H   -1.4206115371   0.5884382652  -0.3555371829
H   -0.2349244912  -1.9682496185   2.8774066352
H    4.3468447241   3.0650218756  -0.7419612201
H    0.9817288489   4.4455260721   1.2480308422
H   -2.4222614981  -2.2155952653  -0.6474526526
H   -4.4118828917   0.4560358568   2.0576171769
H   -4.3687718488  -2.1594628876  -2.1357594529
H   -6.3783842962   0.4935500367   0.5722859861
*