! 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   0.6588514170  -1.4688500310  -2.0809366185
Cl   5.3002549625  -1.0381525556   0.5452430177
O   -0.9016915609   1.3949668813   0.8862891534
N   -2.8170231566  -0.6900737232   0.4908111482
N   -4.8581348097   0.0950750458   0.7518269753
C   -0.5793546756   0.2473228396   0.1539248013
C   -1.4092594992  -0.9009948927   0.7233679254
C    0.8968301297  -0.0756314717   0.2365041652
C    1.5424340635  -0.8486559383  -0.7242290049
C    1.6606590261   0.3793754493   1.3066190409
C   -3.4945255797  -0.9816367974  -0.6616913514
C   -3.6773390124  -0.0319495707   1.2970011043
C   -0.8028305932   2.6113620023   0.1630361938
C    2.8922676433  -1.1529448539  -0.6451259379
C    3.0099795465   0.0905311479   1.4172494764
C    3.6151096994  -0.6736206519   0.4335469836
C   -4.7547039870  -0.4935089978  -0.4769018001
C   -2.0710969218   2.9168333397  -0.5695103024
C   -2.6757482679   4.0968848962  -0.5356185496
H   -0.8533207731   0.3712666481  -0.9025967740
H   -1.1165983391  -1.8500156114   0.2752265967
H   -1.2345800651  -0.9896181459   1.7967862065
H    1.1926883843   0.9823533077   2.0732127383
H   -3.0380179117  -1.5133963548  -1.4809233802
H   -3.3883037801   0.3219806448   2.2747578406
H   -0.5811154242   3.3989691773   0.8863396541
H    0.0434435165   2.5785414318  -0.5350011107
H    3.3682698496  -1.7492778575  -1.4113521119
H    3.5781020479   0.4603188133   2.2595384789
H   -5.5911957230  -0.5445674977  -1.1573349087
H   -2.4928630719   2.1179929365  -1.1753650258
H   -3.5776139158   4.2873446555  -1.1031082502
H   -2.2903722264   4.9203258674   0.0556456490
*