! 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   0.0542653901   0.9037500355  -2.0504624532
Cl  -5.2237267928   0.1852698051   0.3284381008
O    1.0507855799  -0.3118613982   2.2251840678
N    2.7678583141  -2.5404983750  -1.3789042438
N    1.7752482706  -3.7765484481   0.3648621306
C    0.7902231942  -0.1803948546   0.8443476686
C   -0.7298794706  -0.1251610461   0.6540974625
C    1.4470563880   1.0968805353   0.3003200785
C    1.4213476620  -1.4216594362   0.2347063270
C   -1.4023300567   1.0150979302   1.0896075498
C   -1.4787261334  -1.1696408860   0.1294230329
C    1.1586079003   1.6598327356  -0.9447205519
C    2.4029444624   1.7458184575   1.0791939631
C    2.2296051885  -1.4289561933  -0.8911164805
C    1.2433420005  -2.6621852673   0.8429347369
C   -2.7798050186   1.1190126881   0.9974122833
C   -2.8596349794  -1.0833947574   0.0302623658
C    1.7675168876   2.8289069968  -1.3772947878
C    3.0233663892   2.9110936228   0.6571563892
C   -3.5010261759   0.0633886651   0.4632510493
C    2.6994661232   3.4612562301  -0.5716885081
C    2.5071809907  -3.6616937436  -0.7325572900
H   -0.8573173239   1.8620094281   1.4906095001
H   -1.0058438926  -2.0673857188  -0.2433322812
H    2.6740048707   1.3328850232   2.0403547128
H    0.5200794909   0.3249052143   2.7189104731
H    2.4782423068  -0.5179471958  -1.4205591483
H    0.6494804332  -2.7648447432   1.7438193705
H   -3.2784208945   2.0177954362   1.3333141582
H   -3.4201530138  -1.9067054301  -0.3907166572
H    1.5149240591   3.2401684454  -2.3451080510
H    3.7586149476   3.3846809774   1.2937093202
H    3.1701805324   4.3738272916  -0.9118889403
H    2.9401034629  -4.5719083300  -1.1305587981
*