! 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  -4.4060494436   2.0409676779   0.8627183961
F   -0.8472146355  -2.7215340822  -0.2141904098
F   -2.2810461016  -1.9411137078  -1.6097391439
F   -0.2092941766  -1.4142278849  -1.7953624682
O    1.0394974633   1.2929941703  -1.1366815224
N    2.9556249957  -1.3367946596   0.5550654205
N    0.8200653761  -0.6884827159   0.9375342191
N    4.1473964971  -2.8755127351   1.5902064262
C    1.8594198053  -0.5190196224   0.2506925777
C    2.0986549093   0.4311109217  -0.9043374404
C    1.1833190064   2.5747365628  -0.5500183456
C   -0.3839860172  -0.0129161425   0.8363110125
C    0.0086409264   3.4383342869  -0.9496929647
C   -1.4138380044  -0.4496240710  -0.0073510791
C   -0.6506583119   1.0273093672   1.7255458573
C   -2.6471752964   0.1875999914   0.0014223687
C    4.1755058251  -1.3934887846  -0.0910377584
C   -0.0891932107   3.6859495389  -2.4476101143
C    3.0067136793  -2.2615764397   1.5623103944
C   -1.1903732944  -1.6259249538  -0.9049856350
C   -1.8766535724   1.6642735439   1.7355013282
C   -2.8679865302   1.2460333706   0.8633753901
C    4.8863871950  -2.3446706893   0.5618423985
H    2.2666634848  -0.1739897873  -1.8017097167
H    3.0343862505   0.9729941316  -0.7178061541
H    2.1211450089   3.0355808798  -0.8894502486
H    1.2423677546   2.5015403324   0.5429631957
H   -0.9161079165   2.9875309401  -0.5802251314
H    0.1164791404   4.3901999761  -0.4232636030
H    0.1182607233   1.3367041491   2.4209262714
H   -3.4411071134  -0.1363890936  -0.6567629746
H    4.4313322885  -0.7791179261  -0.9364521914
H   -0.9079161389   4.3698518192  -2.6751752256
H    0.8275747862   4.1337476120  -2.8375865253
H   -0.2710104145   2.7649286431  -3.0016910609
H    2.1774449202  -2.4233524289   2.2309891003
H   -2.0533861716   2.4793501076   2.4242528889
H    5.8896657621  -2.6781711072   0.3485809711
*