! 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   0.6291969330  -1.7299610113   2.2252537503
F   -4.5345154179   2.7104758618   0.5345777949
O    0.7193176202  -0.0051228806  -1.7854583871
N    2.9921123769   1.1755885115  -0.4103292180
N    3.5731381820   1.1747301825  -1.6111947957
N    4.9472705726   0.2991092203  -0.0753926990
C    0.5613388301   0.6988965452  -0.5763333922
C    0.7890347574  -0.7534485324  -0.5878987232
C    1.6594690412   1.6811501234  -0.2168761403
C   -0.8059952154   1.2262693734  -0.2936758254
C   -0.3275618580  -1.6876222553  -0.2996125380
C   -1.6689745226   1.5688640573  -1.3269214666
C   -1.2220006337   1.3893961388   1.0239396118
C   -0.4868888718  -2.2043717707   0.9812234658
C   -1.2444243486  -2.0600236067  -1.2750647668
C   -2.9325829831   2.0724105427  -1.0544134590
C   -2.4807507600   1.8904110217   1.3138405369
C    3.8220650534   0.6489682660   0.4957079861
C   -1.5201275732  -3.0694498036   1.2982359528
C   -2.2855602080  -2.9253792171  -0.9755490717
C   -3.3137240280   2.2244551528   0.2635350261
C   -2.4234336962  -3.4296776725   0.3091911170
C    4.7411502451   0.6424310457  -1.3628190658
H    1.7816711263  -1.1339655553  -0.3512197960
H    1.5558977198   1.9708555579   0.8284636261
H    1.5458410985   2.5864896347  -0.8141002235
H   -1.3653471768   1.4433944612  -2.3578555585
H   -0.5691849951   1.1123256618   1.8426661546
H   -1.1420902297  -1.6683952787  -2.2781920966
H   -3.6073191594   2.3406006262  -1.8567948974
H   -2.8079684986   2.0126425473   2.3379150292
H    3.5682735914   0.5530751918   1.5400713192
H   -1.6234268764  -3.4540251281   2.3038986923
H   -2.9900236260  -3.2048835828  -1.7475109350
H   -3.2350398366  -4.1034306541   0.5495757068
H    5.4780286193   0.5005316002  -2.1379868367
*