! 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   0.4013103064  -1.4413218861  -2.1530854164
Cl   5.1397177157  -0.4418878952   0.1257353155
O   -1.2802602645   1.2674363401   0.8882632859
N   -2.9200790444  -1.0881067854   0.6915723747
N   -5.0346729512  -0.6265335316   1.0996851496
C   -0.8626378879   0.1513314102   0.1547049345
C   -1.4831106736  -1.0822603614   0.8131968673
C    0.6439351399   0.0057439284   0.1318625229
C    1.3036965308  -0.7015818343  -0.8681564604
C    1.4234901707   0.5570233719   1.1436161781
C   -3.6374545579  -1.5973837447  -0.3560402377
C   -3.8064075300  -0.5088382084   1.5303059134
C   -1.5005076328   2.4527968609   0.1402672230
C    2.6819785234  -0.8473135386  -0.8870943007
C    2.8011301882   0.4238090436   1.1582670130
C    3.4193212023  -0.2754566519   0.1349427538
C   -4.9412692664  -1.3054613603  -0.0821134379
C   -0.2483965771   3.0859924769  -0.3843691079
C    0.2215301455   4.2463694170   0.0544526344
H   -1.2353882526   0.2145324379  -0.8770894253
H   -1.0925460722  -1.9936996818   0.3621295524
H   -1.2137126816  -1.1085803947   1.8700504055
H    0.9459164825   1.1149668938   1.9372983735
H   -3.1699921331  -2.1180360127  -1.1760848623
H   -3.4983691823  -0.0240204685   2.4437535050
H   -2.1856073129   2.2410545242  -0.6908184989
H   -2.0123696685   3.1394418569   0.8165597357
H    3.1667237740  -1.3953699485  -1.6831585218
H    3.3814131517   0.8641027439   1.9573023385
H   -5.8124990698  -1.5551506018  -0.6681684947
H    0.2771828744   2.5669515178  -1.1806715050
H    1.1191911687   4.6880845735  -0.3596517110
H   -0.2736825528   4.8034945832   0.8419128457
*