! 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  -1.1018464331   0.6984382522  -2.8902411177
Cl  -3.1912715782   3.3670255072   1.2418594191
F    4.1892774603  -1.1619319885  -0.1171774096
F    3.0319666349  -0.0827711632  -1.5838799967
F    4.1249328863   1.0304992254   1.5585604192
F    2.9606484252   2.1185172787   0.0630874625
O    2.1464191862  -0.4563850543   0.4383330961
N   -1.5995965393  -2.7256934999  -0.0178565381
N   -1.1396808635  -3.3005207835   1.0956341778
N   -3.3266542097  -2.8681595395   1.2877199082
C    0.1883946551  -1.1846121589  -0.8265580736
C   -0.7278430689  -2.3858378844  -1.1155952030
C    1.3469303014  -1.5915200694   0.0783282679
C   -0.6175964180  -0.0195886986  -0.3102746272
C   -1.2569937228   0.8713192180  -1.1701963301
C   -0.8198367360   0.1766829216   1.0540656533
C    3.2533318730  -0.1843681721  -0.2467021160
C   -2.0459594733   1.9153257673  -0.7114131038
C   -1.6042781210   1.2048707801   1.5460213955
C   -2.9018829539  -2.4659630199   0.1139022539
C   -2.2101610493   2.0714867107   0.6528666797
C    3.8648362966   1.1300226484   0.2361229454
C   -2.2092254294  -3.3664372046   1.8486832444
H    0.6128427160  -0.9213488796  -1.7965358638
H   -1.3622517112  -2.1593467087  -1.9710120144
H   -0.1366854993  -3.2632018777  -1.3801401612
H    1.0092301933  -2.0200956060   1.0196828093
H    1.9397021493  -2.3609986370  -0.4209819638
H   -0.3590504386  -0.4889842274   1.7713536917
H   -2.5230268744   2.5899141431  -1.4086976413
H   -1.7362094368   1.3230503458   2.6124826007
H   -3.4901549470  -2.0009129739  -0.6618718448
H    4.7832283547   1.3763679185  -0.2991759191
H   -2.1823647422  -3.7968158644   2.8378500247
*