! 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  -1.4069699703   1.1548849032  -3.0060857722
Cl  -5.0424115750   2.7440788909   0.5725010087
F    3.8268293396   0.6246468834   1.6057398953
F    3.1970517499  -1.4407201603   1.6452703296
F    5.1622462025   0.1904480904  -0.7583145676
F    4.4919761845  -1.8892951868  -0.7488502698
O    2.5407821798  -0.1428282949  -0.0498302685
N   -0.6855667357  -2.0402411553   0.0924730856
N   -2.0173398588  -2.1179359956   0.0729924187
N   -1.2057373671  -3.1285039196   1.8974692095
C    0.2674906556   0.1470021940  -0.6341335663
C    0.0378681034  -1.3418799582  -0.9436313863
C    1.3023098185   0.3727597968   0.4593512029
C   -1.0362829727   0.8394420924  -0.3298450802
C   -1.8732947570   1.3055027496  -1.3427556859
C   -1.4964289075   0.9843230049   0.9763816449
C    3.5257539195  -0.4233161899   0.8012429143
C   -3.1004078220   1.8933174447  -1.0822848203
C   -2.7175236630   1.5656950396   1.2719215600
C   -0.2151438722  -2.6469817215   1.1868114045
C   -3.5120441243   2.0163979652   0.2332567262
C    4.7861627968  -0.8318989275   0.0395198516
C   -2.2847053489  -2.7788257079   1.1695097656
H    0.6878039645   0.5769789041  -1.5470181376
H   -0.5360284919  -1.4445473437  -1.8621245970
H    0.9888339129  -1.8479062411  -1.1053413985
H    1.4053533786   1.4407904203   0.6596843756
H    1.0355649542  -0.1235000842   1.3949957302
H   -0.8983302002   0.6309928115   1.8060527396
H   -3.7223904820   2.2459468653  -1.8931974506
H   -3.0405740034   1.6572280366   2.2995403667
H    0.8365561740  -2.7227225642   1.4152075161
H    5.6043989400  -1.0926749197   0.7124663804
H   -3.2964880982  -3.0217829127   1.4550983157
*