! 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   6.8629419072  -0.0487296829   0.0351088465
O   -1.6485812468  -0.0768321529  -1.6830522794
N   -3.3389133284   1.3867393170   0.2016428224
N   -4.1571056252   1.0946789175   1.2157742359
N   -5.3329659037   1.7971708738  -0.5531136038
C   -1.3608154388  -0.0614051584  -0.3033318066
C   -1.9596889823  -1.3239883786   0.4124889617
C    0.1648700616  -0.1555940951  -0.0462133119
C   -0.7626757989  -1.9709727532   1.1375287438
C    0.2673955007  -0.8642444061   1.2937717379
C   -2.7356472217  -2.3227935424  -0.4619685025
C   -1.9058170820   1.2398359437   0.3105398302
C    0.9635532424   1.1445550200  -0.1714973807
C   -3.0445888406  -3.5915104286   0.3338105612
C   -4.0511006713  -1.7629236565  -0.9969625755
C    2.4433473403   0.8854217696  -0.1247030960
C   -4.0534058221   1.8027679941  -0.8455488386
C    3.1201781727   0.4293215799  -1.2535227898
C    3.1667872425   1.0497327693   1.0524736743
C    4.4755591296   0.1409692821  -1.2154712152
C    4.5236120148   0.7655754726   1.1123190108
C   -5.3403988989   1.3538373263   0.7182192783
C    5.1674028028   0.3104164698  -0.0262686775
H   -2.6585850253  -0.9764586109   1.1810705767
H    0.5425477786  -0.8517583345  -0.8067442801
H   -0.3322555492  -2.7654359104   0.5194632676
H   -1.0503272859  -2.4258755942   2.0857161017
H    0.0048785325  -0.1902578947   2.1160569311
H    1.2695952884  -1.2435515733   1.4977441257
H   -2.1034357756  -2.6088104550  -1.3102001068
H   -1.4574800296   2.1059378878  -0.1801088648
H   -1.6587586945   1.3096206036   1.3693120243
H    0.6942838943   1.8371245609   0.6294973064
H    0.7213038486   1.6477462199  -1.1138302203
H   -1.1335396389   0.6118806125  -2.1182978169
H   -2.1483847841  -4.1183961936   0.6617631395
H   -3.6412324539  -3.3663023834   1.2220090375
H   -3.6207138393  -4.2927998333  -0.2732182991
H   -4.5722781393  -2.5157734893  -1.5929906218
H   -3.9153157074  -0.8896873144  -1.6295154515
H   -4.7181045207  -1.4852756773  -0.1770043814
H   -3.6089887948   2.1057432512  -1.7800291990
H    2.5852333000   0.2972351979  -2.1868494205
H    2.6688771496   1.4072757337   1.9457335394
H    4.9831251355  -0.2091878396  -2.1043094865
H    5.0672585195   0.9007720822   2.0376568858
H   -6.2416609440   1.2229502540   1.2970259037
*