! 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   1.6067788632   1.7348338229   1.9442715498
Cl   4.4241448748  -0.6740042095  -1.8839662292
O   -1.8625574218  -0.6289593047   0.2941204346
O   -0.8953545498   0.1723435827   2.1521517945
N   -1.3753009235   1.9392421690  -1.0235046562
N   -0.3326318424   2.5692911811  -1.5692914719
N   -1.7525688266   1.8849124782  -3.1582183495
C   -0.9293596559   0.2952745140   0.7559867378
C   -1.9080628046  -1.7012785517   1.2326457295
C   -1.6480339809  -0.9671222584   2.5400679410
C   -3.2503781985  -2.3951826725   1.1409579726
C   -1.4404831243   1.6970503106   0.3945073989
C    0.4463210778   0.0318647331   0.1465109148
C   -3.4344934557  -3.4985103006   2.1804326143
C    1.6127031997   0.6450952670   0.5981949972
C    0.5561029192  -0.8006979393  -0.9624356036
C   -2.4543915981  -4.6559846151   2.0496192213
C    2.8375898832   0.4324027737  -0.0151575879
C    1.7655574663  -1.0334422034  -1.5948810065
C   -2.2109964414   1.5301939966  -1.9824212906
C    2.9008115036  -0.4096608306  -1.1112832811
C   -0.6027848689   2.5163706082  -2.8474481186
H   -1.0932490160  -2.4057279499   1.0214540183
H   -2.5813146949  -0.6518587493   3.0200863568
H   -1.0731937546  -1.5587236586   3.2540568127
H   -3.3666548812  -2.8180196237   0.1388870241
H   -4.0380287664  -1.6460029113   1.2640867680
H   -0.8503381068   2.4642229235   0.8896290089
H   -2.4726450905   1.7966853274   0.7318307240
H   -4.4528747011  -3.8816877915   2.0841546250
H   -3.3736225452  -3.0769008507   3.1885453780
H   -0.3268355560  -1.2844196368  -1.3559094504
H   -2.6986207441  -5.4515274928   2.7547885904
H   -2.4805017867  -5.0878393940   1.0470581593
H   -1.4245116381  -4.3572286126   2.2520690019
H    3.7267298024   0.9217394867   0.3578066620
H    1.8119114576  -1.6877103895  -2.4542349157
H   -3.1263080895   0.9968458611  -1.7802321129
H    0.0526226548   2.9521020713  -3.5855775047
*