! 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  -4.5909455344   1.9179679799   0.4022333115
F   -2.6852300014  -2.5027582413  -1.4485391018
F   -0.6084801850  -2.0509701005  -1.7602703471
F   -1.2284951840  -3.1118298565   0.0051559674
O    1.9226661148   1.6561115078  -0.2125731262
N    2.7325046334  -1.3575084910   0.2860638773
N    0.5380083775  -0.9783034746   0.7286301961
N    4.8785144969  -1.8591485600   0.3245062513
C    1.5586728745  -0.6395452467   0.0675167271
C    1.6127747720   0.4939000574  -0.9285857632
C    1.6088835351   2.8423796002  -0.9172520941
C   -0.6601106484  -0.2805537248   0.6067861733
C    1.7676103980   4.0278995436   0.0090076148
C   -1.7369168007  -0.8153308652  -0.1084595390
C   -0.8297463841   0.9346438877   1.2661361809
C   -2.9452018263  -0.1346871998  -0.1729281571
C    2.8492060837  -2.5180455650   1.0221784739
C    1.4278707309   5.3312594805  -0.6975904097
C    3.9982623728  -1.0104620613  -0.1028308837
C   -1.5687423484  -2.1205379188  -0.8243291443
C   -2.0335477876   1.6121743506   1.2094288577
C   -3.0840712948   1.0746497455   0.4843347449
C    4.1725859052  -2.8086463632   1.0235473709
H    0.6307488974   0.5658721271  -1.4117908845
H    2.3319943715   0.2887971965  -1.7298245557
H    0.5761730984   2.7938473199  -1.2897783261
H    2.2611331743   2.9510528381  -1.7947345287
H    1.1139708529   3.8972270846   0.8755887758
H    2.7930022517   4.0656024548   0.3855331325
H   -0.0140904010   1.3436674031   1.8455468777
H   -3.7781016947  -0.5351609578  -0.7332669234
H    1.9968396720  -3.0163876168   1.4491077484
H    0.3980091327   5.3343581571  -1.0594172401
H    1.5394136248   6.1810471418  -0.0241588655
H    2.0802638543   5.5055741221  -1.5550017313
H    4.2104699275  -0.1240920796  -0.6787194885
H   -2.1435841750   2.5551291543   1.7276766898
H    4.6599817307  -3.6530503320   1.4848657192
*