! 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  -5.0864327707   1.5552981143   0.4313362307
F   -2.6133757017  -2.8327984859  -0.6706585375
F   -0.6832783497  -2.1715064041  -1.3426257755
F   -0.9460695711  -2.8532837155   0.6806125246
O    2.1414127158   1.4538717204  -1.8370776291
N    2.6624290849  -0.6472968656   0.1170623911
N    0.4822895491  -0.3697670179   0.6777340461
N    4.3024982698  -1.4905939162   1.3254533793
C    1.3824934752  -0.1826060792  -0.1871457531
C    1.2060709912   0.4590148065  -1.5479732508
C    1.8704249356   2.7363562301  -1.2917881039
C   -0.8190396319   0.0956107024   0.5460620714
C    2.4536420140   2.9677077488   0.0912112138
C   -1.8510339161  -0.7520747413   0.1244490008
C   -1.1389388017   1.3936620706   0.9372627830
C   -3.1625094279  -0.2989814102   0.0873662010
C    3.7298372765  -0.8316896124  -0.7411115650
C    3.9663657177   2.8278320656   0.1518172467
C    3.0783259021  -1.0696125277   1.3520290591
C   -1.5275595478  -2.1522050863  -0.2974054656
C   -2.4439341936   1.8490970388   0.8999938428
C   -3.4496790932   0.9976026766   0.4747471594
C    4.7189501306  -1.3544647477   0.0228552482
H    0.1805316109   0.8337910942  -1.6301429899
H    1.3118892492  -0.3218158202  -2.3071841852
H    0.7891735033   2.9230852325  -1.2851404747
H    2.3085896254   3.4540306772  -1.9902032915
H    2.1684162389   3.9834452290   0.3802822012
H    1.9850385426   2.3121820535   0.8310681098
H   -0.3556424635   2.0518393803   1.2896337611
H   -3.9628689422  -0.9469097052  -0.2413299411
H    3.7014903635  -0.5909832684  -1.7886431157
H    4.3362326745   3.0349270612   1.1566524406
H    4.2986522623   1.8244537535  -0.1158085135
H    4.4554726546   3.5287828777  -0.5278760801
H    2.4333169366  -1.0306177052   2.2145640485
H   -2.6685701867   2.8619576687   1.2053697696
H    5.7106514220  -1.6402208599  -0.2902655401
*