! 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   0.2681242225   0.7573126831   1.9418962990
Cl  -7.2936113761  -2.5273110714   0.8806587682
O    2.8591400150  -0.1774653470   0.8513814668
O    3.4147778257   0.3026027688  -1.2728928231
O   -2.8189039783  -0.0748900310  -1.9894593396
N    4.1437224503   2.3490758300   0.5230038094
N    4.4866405734   2.2651140574   1.8103124487
N    6.2935922497   2.6410610845   0.5410655258
C    2.5429829068   0.6455103363  -0.2331444335
C    3.9620286513  -1.0150774119   0.5155593762
C    2.7914851560   2.1264543372   0.0845753758
C    3.9283119426  -0.9880827461  -1.0005020732
C    1.0889801146   0.4381681073  -0.6458256794
C    3.7925182895  -2.3825600049   1.1270598452
C    0.0224508946   0.4659203544   0.2508663159
C    0.7755878196   0.2356768261  -1.9870074463
C   -1.2915639334   0.2887706834  -0.1564421258
C   -0.5224279914   0.0369889403  -2.4199308178
C   -1.5581331324   0.0623669045  -1.4991923206
C    5.2307864807   2.5668353157  -0.2225446918
C    5.7807323727   2.4521195521   1.7739332041
C   -3.8167124777  -0.6496557235  -1.2538080182
C   -3.6211358589  -1.7991162391  -0.4991721605
C   -5.0768167935  -0.0790104574  -1.3533925991
C   -4.6944136582  -2.3725358068   0.1644630709
C   -6.1524299737  -0.6599924390  -0.7013351237
C   -5.9527535690  -1.8010955190   0.0587919597
H    4.8917468579  -0.5617258457   0.8820807866
H    2.1200052632   2.4821458134   0.8631124623
H    2.6076696923   2.7235329367  -0.8094873222
H    4.9123614844  -1.0793987666  -1.4592073756
H    3.2759431753  -1.7716209282  -1.4069176981
H    3.7686757037  -2.3300129101   2.2156097514
H    4.6354201518  -3.0168530106   0.8492679056
H    2.8758611886  -2.8634558069   0.7829612075
H    1.5680144743   0.2204693523  -2.7218570380
H   -2.0894768298   0.3380582175   0.5728289699
H   -0.7301263933  -0.1285564821  -3.4688833652
H    5.1969056387   2.6739123518  -1.2951869491
H    6.3803375212   2.4525865429   2.6711109759
H   -2.6468912728  -2.2652537154  -0.4269242491
H   -5.2227668773   0.8140293941  -1.9469073690
H   -4.5424296782  -3.2689400341   0.7500975279
H   -7.1344704207  -0.2150961508  -0.7850721713
*