! 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   1.6184396527   2.1741279509   1.3418658611
Cl   5.6718372786  -0.8826235249  -0.2716127996
O   -0.9609675980  -0.9817254212  -0.6030180184
O   -0.7576891332   0.4161736749   1.1198701485
N   -2.0603740614   1.5243776923  -1.1955875554
N   -2.7322123177   2.2603177005  -0.3080451880
N   -4.1361651568   1.3582560757  -1.8018685169
C   -0.2886272152   0.1630786303  -0.1625317805
C   -1.5273844107  -1.6672141678   0.5177977222
C   -1.0032497562  -0.8511525987   1.6981249653
C   -3.0416160629  -1.6927145798   0.4033314376
C   -0.6408917761   1.3230594661  -1.0987663353
C    1.2240196569  -0.0729919990  -0.1734246359
C   -3.6927997879  -2.6096341224   1.4317375671
C    2.1308936216   0.7656075650   0.4735718260
C    1.7484036448  -1.1588203055  -0.8683503576
C   -5.2102293323  -2.6042601611   1.3297166652
C    3.4967251228   0.5244259882   0.4488397822
C    3.1068044018  -1.4230118679  -0.9112499399
C   -2.9098859127   0.9861052047  -2.0746513990
C    3.9719595567  -0.5752294801  -0.2433089608
C   -3.9701994647   2.1338478342  -0.7111760767
H   -1.1362678178  -2.6892021947   0.5382781183
H   -1.7258136733  -0.7295307127   2.5049970070
H   -0.0878190976  -1.2821889970   2.1190821094
H   -3.3146316579  -2.0295258848  -0.6010108738
H   -3.4325561525  -0.6754002911   0.5124761110
H   -0.2541155596   1.1053541300  -2.0940003245
H   -0.1799737336   2.2497658685  -0.7636502419
H   -3.4007071499  -2.3107616003   2.4431638201
H   -3.3200635098  -3.6296907459   1.2981006293
H    1.0795293620  -1.8265594753  -1.3923697414
H   -5.6613955165  -3.2663517344   2.0699861136
H   -5.6157821506  -1.6039511823   1.4936695611
H   -5.5449071265  -2.9361216718   0.3449455758
H    4.1761988442   1.1882318610   0.9652271831
H    3.4766941084  -2.2796952771  -1.4571213674
H   -2.5918520682   0.3511427815  -2.8864297474
H   -4.7861107251   2.6257115839  -0.2043579452
*