! 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  -5.3020128283   1.2129898804  -0.4274299379
F   -1.9400830362  -1.5147926215   2.3739651771
F   -0.7640672976  -2.5642230186   0.9159173534
F   -0.0325290341  -0.7318138043   1.7718758380
O    2.2235406621   1.2282590591   0.6445228143
N    2.4442471139  -0.8663057897  -1.2029082222
N    0.1760810523  -0.8371742283  -1.1723209419
N    3.7936986855  -2.5404336059  -1.6891358545
C    1.2426087789  -0.2011895586  -0.9508814351
C    1.3550097125   1.2135193110  -0.4479688514
C    2.4084330310   2.5223759390   1.1822861143
C   -1.0862450367  -0.2992526522  -0.9534632044
C    3.4803377893   2.4705408518   2.2493415189
C   -1.7942421978  -0.5625407591   0.2253924708
C   -1.7080280430   0.4371395866  -1.9585257609
C   -3.0900936999  -0.0917391049   0.3857178996
C    3.7116973458  -0.3292384366  -1.3186194037
C    3.6761372603   3.8304560274   2.9015331812
C    2.5670194161  -2.2092423683  -1.4393436808
C   -1.1369532488  -1.3452034988   1.3207178048
C   -2.9987692672   0.9078395637  -1.8020998086
C   -3.6830767335   0.6383419621  -0.6287677151
C    4.5184956555  -1.3745781558  -1.6211002754
H    0.3565920874   1.5812339050  -0.1840262598
H    1.7113175639   1.8529918105  -1.2705930176
H    1.4651515993   2.8941838858   1.6063489425
H    2.7016821036   3.2260360531   0.3901724540
H    3.2057442759   1.7328870789   3.0077944742
H    4.4191983573   2.1334470981   1.8026183241
H   -1.1759754409   0.6313535316  -2.8803024209
H   -3.6424052293  -0.2867368579   1.2942031618
H    3.9284202651   0.7161572496  -1.1945333070
H    4.4690230178   3.7958755487   3.6489784375
H    3.9513744700   4.5921363529   2.1693254773
H    2.7681323217   4.1684947824   3.4037917310
H    1.7190087014  -2.8732201399  -1.4009717997
H   -3.4625709126   1.4781423081  -2.5952999870
H    5.5827126338  -1.3546993156  -1.7950644020
*