! 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  -4.6918815489   1.6370174454   0.9150398345
F   -2.0090893737  -1.0886105943  -2.5374737838
F    0.0627826936  -0.7823864466  -2.0732833457
F   -0.9741100680  -2.4916443961  -1.2849588354
O    1.1428010766   1.7986881239   0.7193815205
N    2.7782432831  -1.4830850030   0.7002767635
N    0.5661432818  -1.0192304751   0.7158711150
N    4.8159548147  -2.3279543608   0.6983464760
C    1.7321065445  -0.5492296588   0.6981504179
C    2.1924549412   0.8954362333   0.6630631393
C    0.7433511645   2.3724454900  -0.5150838333
C   -0.6310383988  -0.3277951842   0.7495807391
C    1.5896217581   3.5749884327  -0.8932298013
C   -1.5045075394  -0.4041328575  -0.3419630006
C   -1.0628947169   0.3244121212   1.9044068797
C   -2.7504280705   0.2110227758  -0.2934482714
C    2.6344128725  -2.8552490002   0.6985113552
C    1.1087032159   4.2059920329  -2.1910104957
C    4.1237028045  -1.2326192557   0.7004123985
C   -1.1068341638  -1.1873070348  -1.5557733813
C   -2.3043961956   0.9232334904   1.9611255656
C   -3.1385344198   0.8748159112   0.8536348348
C    3.8962696427  -3.3488052508   0.6981604284
H    2.8201757833   1.0316518279  -0.2263822215
H    2.8420719038   1.0632238588   1.5286118009
H   -0.2985273967   2.6745892586  -0.3838484077
H    0.7618771485   1.6290321558  -1.3198574838
H    1.5501367739   4.3088802413  -0.0840837126
H    2.6375926070   3.2780490829  -0.9985412275
H   -0.4152207323   0.3584294822   2.7697624446
H   -3.4227093324   0.1688888906  -1.1386471331
H    1.6703444808  -3.3318977465   0.6915526854
H    1.1613057353   3.5024394875  -3.0240652317
H    0.0744633740   4.5462712752  -2.1116919685
H    1.7173089645   5.0708309692  -2.4557066406
H    4.5362535075  -0.2365286153   0.7039827083
H   -2.6148951131   1.4302746327   2.8645624365
H    4.1986027016  -4.3841637420   0.6941480792
*