! 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   3.5851703282   4.2676836909   0.6607836957
O   -0.7079684389  -0.5201628607   1.1955838115
N   -1.4817430121  -3.0961571123   0.0024989486
N   -0.4831603517  -3.3295125613   0.8597495441
N   -0.5470432257  -4.9249098822  -0.7005341944
C   -1.5680896023  -0.6101143591   0.0818476452
C   -2.5651537550   0.5882587238   0.2119760519
C   -0.7869498245  -0.5594481903  -1.2649305848
C   -2.3444964821  -1.9431177425   0.1595195814
C   -3.3808577750   0.4953826672   1.5080312804
C   -1.7855146701   1.9079737519   0.2496197963
C   -3.5476817851   0.6354681386  -0.9621207513
C    0.7367768174  -0.7171826122  -1.1845268962
C    1.4615288127   0.5136511443  -0.7089050222
C   -1.5065965942  -4.0548536197  -0.9221621181
C    1.4785484614   1.6605998234  -1.4994554756
C    2.1342276969   0.5538256966   0.5075433273
C    0.0514866749  -4.4342664535   0.3978959021
C    2.1250123674   2.8168611735  -1.0913096459
C    2.7923616116   1.6978620614   0.9346110061
C    2.7750710633   2.8263550663   0.1319915799
H   -0.9889633834   0.3759322385  -1.7881270527
H   -1.1682083534  -1.3307755969  -1.9393560712
H   -2.8529534236  -2.0422285594   1.1182929182
H   -3.0955142282  -2.0086319310  -0.6249973993
H   -3.9968728537   1.3905220851   1.6183944377
H   -2.7460359420   0.4272232628   2.3914146249
H   -4.0670103929  -0.3535484053   1.5194353778
H   -2.4816261107   2.7409095909   0.3708322216
H   -1.2244200934   2.0956873212  -0.6661220839
H   -1.0791246154   1.9465877995   1.0778946734
H   -3.0523054512   0.7157913044  -1.9306940328
H   -4.2063997439  -0.2343227875  -0.9990894707
H   -4.1935356060   1.5105053654  -0.8653915102
H    1.0830008606  -0.9465045354  -2.1961530650
H    1.0233383921  -1.5783102985  -0.5786948588
H   -0.2987698096  -1.3828486950   1.3546152753
H   -2.2321408344  -4.0813570095  -1.7200565652
H    0.9778546370   1.6601349991  -2.4610826569
H    2.1559069226  -0.3225067322   1.1427625002
H    0.9006683882  -4.8992326362   0.8738738666
H    2.1222239758   3.6953085770  -1.7227406339
H    3.3077279797   1.7054255806   1.8858470279
*