! 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  -5.0406928708   1.6424411085  -0.1184012078
F   -0.6389314654  -2.1809401734   1.4377065699
F   -2.6542357601  -2.7879801458   1.0109159925
F   -1.1392728383  -2.9717086717  -0.4985213788
O    2.3541073535   1.3512094483   1.4150908727
N    2.6011881548  -0.8855183840  -0.4272268411
N    0.3889852891  -0.5575449739  -0.7938080739
N    4.6970743367  -1.5709672421  -0.3670921718
C    1.3748331994  -0.3463174412  -0.0345638016
C    1.3444539343   0.3985560245   1.2864500852
C    2.2003686799   2.4846886926   0.5802019920
C   -0.8751998844  -0.0285958682  -0.5679243920
C    3.3296725317   3.4513475463   0.8638936202
C   -1.8927458402  -0.7989847815   0.0073804290
C   -1.1779022564   1.2575564295  -1.0093145896
C   -3.1729935873  -0.2806725081   0.1471989174
C    2.8388204567  -1.5339481774  -1.6236726931
C    3.2310141320   4.6974552589  -0.0018680574
C    3.7704344406  -0.9468044655   0.2875231130
C   -1.5860035023  -2.1849571388   0.4850205241
C   -2.4514975793   1.7775987522  -0.8705081509
C   -3.4428964946   1.0032148128  -0.2914245147
C    4.1277796406  -1.9425445301  -1.5620688993
H    1.4732971598  -0.3251965735   2.0961275902
H    0.3511529589   0.8422391148   1.4145094678
H    1.2297677287   2.9634232335   0.7690325902
H    2.2194122836   2.1960439643  -0.4805120942
H    3.3095508696   3.7313229193   1.9204341448
H    4.2851560639   2.9512996291   0.6846590573
H   -0.4053362416   1.8539627862  -1.4766978408
H   -3.9619070944  -0.8670819003   0.5969571001
H    2.0829020585  -1.6376596062  -2.3814842999
H    2.3013666346   5.2406170846   0.1779502454
H    4.0538131725   5.3814760372   0.2068338919
H    3.2713303481   4.4532416261  -1.0650068396
H    3.8821534804  -0.5236426458   1.2708505734
H   -2.6630718055   2.7802381683  -1.2161563410
H    4.6846316979  -2.4815480550  -2.3121335356
*