! 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  -5.5502803363   3.0073377563  -2.2477340958
O    2.8996300838   1.2559305079   1.0274959840
O    2.6334063753  -2.4535281917  -1.4382114985
N    2.3842952234  -0.6360246161  -0.1039551456
N    1.5476993660  -2.7456986369   0.5325771465
N    1.1641835059  -4.5117352183   1.7889782047
C    2.3389778428  -0.0180136981   1.2563690893
C    2.9916471299   0.2941726913  -1.0846166092
C    2.7914592463   1.6028027324  -0.3313347024
C    0.9304318602   0.1275155690   1.8411332019
C    3.2516525080  -0.7264304084   2.2479637503
C    4.4811511502   0.0187754351  -1.2836575457
C    2.2494954742   0.3371981919  -2.4118867682
C   -0.1284426003   0.7385814166   0.9346467431
C    2.2429776568  -1.9300534199  -0.4178696529
C   -1.5179594529   0.6877618684   1.5746244861
C   -2.5625933111   1.2591127518   0.6597090762
C    0.1906486444  -2.7827505644   0.7481475928
C    2.0765384415  -3.8298096134   1.1609824346
C   -3.2284665257   0.4495767004  -0.2566829467
C   -2.8459577025   2.6224588948   0.6580384051
C   -0.0192027156  -3.8738829834   1.5326044231
C   -4.1474660010   0.9753549036  -1.1524078027
C   -3.7617850267   3.1685869355  -0.2289227868
C   -4.4047974968   2.3366056276  -1.1314422422
H    3.5636871097   2.3358605262  -0.5691647313
H    1.8191333361   2.0517188367  -0.5654670023
H    1.0378212376   0.7454561573   2.7376335267
H    0.5887737542  -0.8434745515   2.2024746639
H    3.3822332017  -0.0969040698   3.1290112096
H    4.2358180890  -0.9146776667   1.8181499960
H    2.8360586114  -1.6706305843   2.5921569148
H    4.6622969582  -0.9679501244  -1.7045604657
H    5.0343666657   0.0989503095  -0.3465665475
H    4.8981044734   0.7530311796  -1.9748267247
H    2.5613788211   1.2281631140  -2.9601631481
H    2.4600062106  -0.5235443993  -3.0416484748
H    1.1705223471   0.4048243107  -2.2639072397
H    0.1130530516   1.7804451583   0.7120409647
H   -0.1621819581   0.2197926502  -0.0285514039
H   -1.5038082409   1.2391344890   2.5182781810
H   -1.7685163248  -0.3470771871   1.8254988954
H   -0.4857787401  -2.0686424275   0.3105526791
H    3.1330446232  -4.0482267336   1.1337101529
H   -3.0335285512  -0.6163719582  -0.2767473168
H   -2.3463317455   3.2772855395   1.3622244994
H   -0.9591903089  -4.2344891953   1.9200204288
H   -4.6549378683   0.3279385465  -1.8549162107
H   -3.9695098795   4.2300761596  -0.2121068168
*