! 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  -7.6047038709  -1.0430044367   0.0842060463
F    3.7411832183  -1.5605083078  -0.4837849391
F    3.1082777627  -1.7495194628   1.5837511296
F    2.5486537184  -3.2067516416   0.1357450888
O    3.4597702268   0.7333336242   0.7458224081
O   -1.9299450601  -2.2892715163  -0.6355254647
N    2.9818580358   3.6009859693   0.5697362471
N    4.1474725209   3.3948002024   1.1906157151
N    4.0931118329   5.4471019230   0.3136514106
C    2.5024208961   1.2687362121  -0.1251189606
C    1.3591519324   0.2581942432  -0.2521087528
C    1.9619507631   2.5776270570   0.5047244799
C    3.0876030918   1.5439272155  -1.5141978142
C    1.4500086378  -1.1283546403  -0.0168703914
C    0.1235776980   0.7342219843  -0.6897925326
C    0.3132302829  -1.9250723412  -0.1234992141
C   -1.0007924323  -0.0591397174  -0.8306549758
C   -0.9071306230  -1.4006333348  -0.5117651868
C    2.7212665420  -1.8841428959   0.3136949617
C    2.9663947970   4.8279359760   0.0489114482
C    4.7822459618   4.5265796204   1.0095539573
C   -3.2324813812  -1.9182210798  -0.4603714080
C   -3.6422384939  -1.0671832631   0.5577829957
C   -4.1645389237  -2.4992201604  -1.3085295449
C   -4.9916341511  -0.7928752311   0.7186729083
C   -5.5138529246  -2.2361861399  -1.1390733178
C   -5.9189767644  -1.3793157369  -0.1280818949
H    1.1481791182   3.0138497310  -0.0664332523
H    1.5934977303   2.3739001058   1.5116220136
H    3.4040691531   0.6163359025  -1.9890868943
H    2.3566770143   2.0190269888  -2.1700127898
H    3.9616931436   2.1960920025  -1.4603471586
H    0.0086993178   1.7751555452  -0.9552284460
H    0.3568583656  -2.9857857557   0.0775447351
H    4.0999423204   1.4267542831   0.9717384140
H   -1.9224464861   0.3820689364  -1.1866594210
H    2.1255527465   5.2203349543  -0.5011508487
H    5.7761365788   4.6908619505   1.3955850794
H   -2.9289545171  -0.6196307445   1.2379290925
H   -3.8379321635  -3.1662563403  -2.0959375018
H   -5.3111059262  -0.1308263850   1.5120035295
H   -6.2376651779  -2.6960217964  -1.7981697558
*