! 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  -3.0007961985   3.5202112381   0.3815206278
N   -0.7428654445  -2.4180960240  -0.7593852629
N   -0.8130116949  -3.4283204368   0.1114528357
N   -2.8630561869  -2.6858232462  -0.3946767494
N    1.6919451749  -2.0329711683   2.0386274004
C    1.1163458135  -0.8482412794  -0.2192342956
C    2.4628010030  -0.3611224419  -0.8016209609
C    0.5231085890  -1.8946841447  -1.1946847416
C    3.1710770420   0.6943634265   0.0346271804
C    0.1112002111   0.2761981577  -0.0160268672
C    4.4978483124   1.1154387794  -0.5858755997
C    1.4122221327  -1.5128865768   1.0524685431
C   -0.6506381389   0.3918926651   1.1398493924
C   -0.1154660406   1.1791435849  -1.0530084740
C    5.2120246984   2.1795353162   0.2329239115
C   -1.6091396492   1.3867708511   1.2703160398
C   -1.0674647688   2.1775967795  -0.9382094646
C   -1.9729419671  -1.9800912519  -1.0461414117
C   -1.8098758924   2.2740493782   0.2287195262
C   -2.1007199033  -3.5550032940   0.2988843917
H    2.2792187967   0.0216332797  -1.8083412961
H    3.1108182164  -1.2329529851  -0.9261935470
H    1.2143041716  -2.7253790191  -1.3270095227
H    0.3844484963  -1.4204857931  -2.1650991988
H    3.3525305306   0.3131759748   1.0445217218
H    2.5311425302   1.5740173185   0.1481666983
H    4.3232582536   1.4903242274  -1.5989166395
H    5.1444991367   0.2392796391  -0.6921679439
H   -0.5156341950  -0.2933393970   1.9669334009
H    0.4485093500   1.1196635125  -1.9754505102
H    6.1588927043   2.4670914873  -0.2262736367
H    5.4318174679   1.8252918897   1.2420424817
H    4.6059211798   3.0829238044   0.3270780165
H   -2.1900089279   1.4583101415   2.1796782894
H   -1.2239399768   2.8707218079  -1.7535393087
H   -2.1645090402  -1.1676717928  -1.7299023312
H   -2.5083184297  -4.3075378496   0.9561394316
*