! 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  -0.9922039546  -0.8335903171  -2.0751590274
F    4.3176565388  -1.2262373320   1.0697366488
F    4.8881533803  -1.2239357439  -1.0104461138
F    5.8698438324   0.0795700547   0.3770771346
F   -4.2192988512   2.6883509420   0.7963168251
F   -5.4248528869   1.7282790925  -0.6993083740
F   -5.7596969046   1.3072979548   1.3852923523
O    2.0673030020  -1.9377635072  -0.6240262313
N    0.8472890870  -1.0941047181   1.0776903384
N   -2.7908815477  -1.4835472948   1.3875207328
C   -0.9498800123  -2.7009433666   0.4441726519
C    0.1757214420  -2.3301310054   1.4133136528
C   -1.9647485569  -1.6049377680   0.3539325289
C    2.2910738056   0.3800763789  -0.1404208048
C    1.7399417235  -0.9989781975   0.0819508506
C    3.6639950075   0.6368910179  -0.2185958408
C   -2.0442255198  -0.7053451010  -0.7117425769
C   -3.8219837350   0.4141445528   0.3995864430
C   -2.9763006379   0.3143345387  -0.6935041728
C    1.3962971558   1.4222389599  -0.3528736729
C    4.1103396483   1.9157733844  -0.5241004138
C   -3.6897863905  -0.5153035828   1.4197528967
C    4.6791841206  -0.4379115075   0.0499005530
C    1.8467070931   2.6963695579  -0.6645720875
C    3.2052220457   2.9410015855  -0.7567616286
C   -4.8120619013   1.5311159787   0.4730448451
H   -0.5373043970  -2.9531898340  -0.5303184901
H   -1.4380628017  -3.5973119316   0.8305411930
H   -0.2305066560  -2.2111450379   2.4163303585
H    0.8957732416  -3.1485932979   1.4520030408
H    0.6789647374  -0.2900168703   1.6602038161
H   -3.0326030409   1.0109148600  -1.5199153980
H    0.3315881551   1.2394368076  -0.2921324683
H    5.1677463468   2.1333652475  -0.5802448200
H   -4.3255253164  -0.4875521661   2.2961005929
H    1.1334779079   3.4910982072  -0.8372628222
H    3.5690947816   3.9299187942  -1.0002267116
*