! 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  -1.4548039557   1.2464219226  -2.9193612730
Cl  -5.0097346143   2.7887151870   0.7600456633
F    3.7724341408   0.3026059215   1.7846982050
F    3.1533501767  -1.7121491365   1.3167783218
F    5.2232773068   0.4290191763  -0.5337624227
F    4.5457419875  -1.5772816532  -1.0741849236
O    2.5627110187  -0.0546879998  -0.0578272688
N   -0.6867621985  -2.0163346277  -0.0102230809
N   -2.0211407781  -2.0180532583   0.0094924642
N   -1.2160710833  -3.2794819560   1.6739981955
C    0.2730478817   0.2108486581  -0.6002805555
C    0.0445900638  -1.2569469702  -0.9968336474
C    1.3102188223   0.3641823456   0.5038639452
C   -1.0268575541   0.8923391903  -0.2569616177
C   -1.8862115162   1.3716416084  -1.2441910197
C   -1.4559934992   1.0235710034   1.0607040421
C    3.5122094205  -0.5283857569   0.7471002791
C   -3.1073734624   1.9552031786  -0.9491518826
C   -2.6687182692   1.6034267470   1.3916546181
C   -0.2205551914  -2.7730434069   0.9880114772
C   -3.4877924705   2.0641819470   0.3769256696
C    4.8057994336  -0.7548103336  -0.0344530713
C   -2.2935750419  -2.7865513156   1.0321246968
H    0.6938114951   0.6939627769  -1.4865881693
H   -0.5152844049  -1.3093137311  -1.9282022852
H    0.9978171515  -1.7531978522  -1.1755752321
H    1.3874782994   1.4100702592   0.8062831332
H    1.0632703607  -0.2261657187   1.3893509771
H   -0.8394065578   0.6612052421   1.8724937498
H   -3.7478646061   2.3169312844  -1.7414179416
H   -2.9651832728   1.6858842993   2.4279456308
H    0.8309888684  -2.9342503404   1.1650659216
H    5.5907990594  -1.1869452574   0.5880858673
H   -3.3089356970  -3.0039712910   1.3254246016
*