! 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  -4.6468540565   1.9037135130   0.5562239004
F   -2.6070032292  -2.3691509212  -1.4953269672
F   -0.5310119600  -1.8636585033  -1.7202867973
F   -1.1805236017  -3.0331686365  -0.0351581065
O    2.4397894572   1.5946890726  -0.2198947299
N    2.7463510988  -1.2441693981   0.4353687424
N    0.5348384391  -0.8987307128   0.8300359605
N    4.0960939354  -2.7550875984   1.3034990209
C    1.5660029677  -0.5383925693   0.1982797545
C    1.6523868920   0.5887449236  -0.7974365377
C    2.4226543967   2.8142120840  -0.9441515829
C   -0.6724792173  -0.2188119320   0.7178907172
C    1.2088573510   3.6743213263  -0.6338770360
C   -1.7276093468  -0.7425093648  -0.0376867677
C   -0.8738846219   0.9649381167   1.4231827381
C   -2.9489342021  -0.0852594057  -0.0879692348
C    3.9875201803  -1.0375340415  -0.1354764549
C    1.2472899042   4.9801335485  -1.4131954263
C    2.8839615612  -2.2988247005   1.2970971041
C   -1.5159660478  -2.0033655782  -0.8181280643
C   -2.0912977684   1.6201797437   1.3791023344
C   -3.1222379978   1.0902936038   0.6213507427
C    4.7951177938  -1.9776352805   0.4113086227
H    0.6401201378   0.9316581911  -1.0299793389
H    2.0822089960   0.2206408423  -1.7391356658
H    2.4898607227   2.6199272734  -2.0233972139
H    3.3342174618   3.3460323217  -0.6596417591
H    0.2856223068   3.1388663734  -0.8744462397
H    1.1813618821   3.8799732557   0.4397596407
H   -0.0693384593   1.3709993326   2.0219220873
H   -3.7657162281  -0.4768675239  -0.6779782168
H    4.1892132853  -0.2660019525  -0.8570445605
H    1.2199759883   4.8056495414  -2.4907884894
H    0.3938309147   5.6111297364  -1.1634915424
H    2.1514408029   5.5526054753  -1.1951624701
H    2.0558719193  -2.6713134383   1.8776337224
H   -2.2259770858   2.5397835208   1.9321480848
H    5.8438125126  -2.1372122964   0.2159621179
*