! 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  -5.4351030520  -0.4800326525   0.2962697987
O    2.9103998762  -0.2755605888  -1.4628018220
O    0.3645497629  -0.4777478741  -0.5197707885
N    1.1971300180   1.6153428361   0.0738866604
N    1.4869876660   2.1512575324  -1.1169844474
N    0.9882193421   3.7548623846   0.3570846591
C    3.0580443314  -1.7240651365   0.4419766091
C    2.7018517144  -0.3143402587  -0.0791734836
C    1.2901507573   0.1806645710   0.2856016213
C    2.8455259880  -1.7853591168   1.9558724311
C    2.2565086476  -2.8403714371  -0.2301201156
C    4.5482481198  -1.9473170969   0.1577548045
C    0.9059495312   2.5873275513   0.9441841069
C   -0.9650164379  -0.4215557710  -0.2561934675
C    1.3470661954   3.4331946867  -0.9012097476
C   -1.7881656259  -0.9598475665  -1.2425712335
C   -1.5290818691   0.0957652589   0.9028478856
C   -3.1595045904  -0.9831240136  -1.0746818669
C   -2.9081031900   0.0763870506   1.0693818070
C   -3.7158163250  -0.4596190088   0.0840903106
H    3.3772783952   0.3815141648   0.4454264557
H    1.1114634711   0.0272472170   1.3532932560
H    3.3363027657  -0.9572720417   2.4737856242
H    1.7903791463  -1.7782295263   2.2376778132
H    3.2652648439  -2.7096177315   2.3570120659
H    2.6455845539  -3.8109594860   0.0856839815
H    2.3300407062  -2.8006895474  -1.3170595418
H    1.1998658394  -2.8203124019   0.0356038614
H    4.7687124749  -1.9510443622  -0.9093749486
H    4.8697432862  -2.9093685282   0.5611095995
H    5.1665665117  -1.1761096802   0.6239196624
H    2.6865742263   0.6084780511  -1.7863333220
H    0.6505919823   2.4008843906   1.9758708034
H    1.5100537702   4.1631300210  -1.6784544090
H   -1.3474715814  -1.3657027630  -2.1441650395
H   -0.9336707875   0.5080745254   1.7048409368
H   -3.7874739220  -1.4060484534  -1.8471749819
H   -3.3372661519   0.4835153711   1.9746515322
*