! 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  -3.5919212256  -3.0786556360  -1.2640713186
F    1.8193534830   1.0880246079   1.4752413856
F    3.3878056714  -0.3800939330   1.6357914091
F    3.7796148787   1.6728634989   2.1194852968
F   -5.3527226685   1.5397233581   0.5038842949
F   -4.4530408712   1.2390156021   2.4324640738
F   -3.6251166472   2.6885996018   1.0789321420
O    3.4874033331  -2.1870352755  -1.1265982666
N    1.5094470115  -1.2297673118  -0.5654234905
N   -1.0947133747  -0.4022044218   0.2034094106
C   -0.5848911212  -2.5292365028  -0.8425031334
C    0.7935449740  -2.4328852194  -0.2046635670
C   -1.5707051091  -1.5040643610  -0.3630812308
C    3.3573650359   0.1770488182  -1.1559283638
C    2.7956948184  -1.1996118380  -0.9248102933
C    3.5216193124   1.1434773944  -0.1599002585
C   -2.9512473421  -1.6721009977  -0.4990237213
C   -3.2888877268   0.4225508183   0.5692825124
C   -3.8214864583  -0.7115893989  -0.0245179157
C    3.7841296073   0.4597147469  -2.4488047993
C    4.0666818744   2.3823857293  -0.4804248314
C   -1.9110436277   0.5345483960   0.6559511119
C    3.1294300159   0.8789825624   1.2647203874
C    4.3213550909   1.6966685803  -2.7648473896
C    4.4568706554   2.6617406642  -1.7797205188
C   -4.1814082604   1.4760862416   1.1425606892
H   -0.4981272150  -2.4614675381  -1.9318518966
H   -0.9720140903  -3.5288112254  -0.6371869860
H    0.7041440605  -2.4976320377   0.8831374303
H    1.3784662546  -3.2915327397  -0.5270702073
H    1.0091695777  -0.3682859641  -0.4029030738
H   -4.8896839258  -0.8548034264  -0.1207951741
H    3.6827099610  -0.2929011172  -3.2200138531
H    4.2022914973   3.1397083201   0.2793525653
H   -1.4396389907   1.4021226829   1.1014606278
H    4.6368156515   1.9030198512  -3.7788654239
H    4.8770613938   3.6301058819  -2.0150689981
*