! 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  -2.0725662447   0.1809927925  -2.9209926735
Cl  -3.4279114443   3.5797452222   0.9697205190
F    3.6174834856  -1.3214319581  -0.0870882697
F    4.1994297419   0.3240204429  -1.3567349669
F    5.1685087316   0.4601062168   1.1907696459
F    3.1336411629   0.4403927366   1.9869211705
O    2.1317807424   0.2910147114  -0.5170240045
N   -0.9362555478  -2.4535215837   0.5895081088
N   -1.9088456049  -2.8901221214  -0.2096732524
N   -2.5771602612  -2.9226819842   1.9264400217
C    0.0971915046  -0.9053691262  -1.0054225194
C    0.3196670015  -1.9871010967   0.0528257472
C    1.4195989827  -0.3970544462  -1.5579182590
C   -0.7849304667   0.2192633137  -0.5211102936
C   -1.7957579110   0.7637047453  -1.3112035472
C   -0.6134916458   0.7761183433   0.7451915682
C    3.4136392928   0.0046261581  -0.2967966965
C   -2.6124380565   1.7939337200  -0.8689808435
C   -1.4106234531   1.8040890233   1.2172215222
C   -1.3471175018  -2.4727073623   1.8580996589
C   -2.4112129365   2.3024927078   0.4011227127
C    3.8886272801   0.7957926818   0.9213289044
C   -2.8719775847  -3.1602806033   0.6344180578
H   -0.3890402117  -1.3954547950  -1.8505405180
H    0.8514630676  -2.8268025956  -0.3967145506
H    0.9170196914  -1.6399466775   0.8942376488
H    1.9957366953  -1.2307793606  -1.9635183643
H    1.2445299840   0.3106036710  -2.3688393805
H    0.1677792120   0.4091439513   1.3969669035
H   -3.3909504331   2.1888635134  -1.5067012580
H   -1.2476806940   2.2062257279   2.2073368838
H   -0.7261382571  -2.1595119096   2.6828170952
H    3.8164137179   1.8726008119   0.7657462213
H   -3.8244688816  -3.5461342476   0.3059916809
*