! 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  -4.4533627439   2.0704450147  -0.4269526459
F   -0.0226439217  -1.6127935110   1.6503255724
F   -2.1333501051  -1.9723151310   1.7538288097
F   -0.9956553244  -2.7510478608   0.1083582438
O    1.4126735911   1.9980723509   0.1749520394
N    2.9647190529  -1.1060442475  -1.0306760593
N    0.7624547723  -0.6326696634  -0.8834459583
N    4.9822953373  -1.9267973916  -1.3802027279
C    1.9353632631  -0.1999576379  -0.7374747321
C    2.4193608052   1.1678253860  -0.2898571253
C    1.0758068043   1.8178480122   1.5398017197
C   -0.4262226098   0.0579018569  -0.7482024874
C   -0.1155210771   2.6901403236   1.8696028408
C   -1.4040623266  -0.4372495699   0.1249827030
C   -0.7468265644   1.1484608799  -1.5567177343
C   -2.6386146495   0.1914305255   0.2318766847
C    2.7932624412  -2.4202255357  -1.4145486512
C   -0.5691851031   2.4918870406   3.3071481545
C    4.3134143071  -0.8728866681  -1.0324434845
C   -1.1366661333  -1.6873651441   0.9087839667
C   -1.9809331176   1.7604826453  -1.4709365661
C   -2.9151037677   1.2892070168  -0.5609919815
C    4.0431535182  -2.9005523834  -1.6206269304
H    2.8886825393   1.6540711886  -1.1516501570
H    3.2067756149   1.0304925093   0.4625613391
H    1.9335441462   2.0830490079   2.1729463552
H    0.8408098054   0.7689658773   1.7532372720
H    0.1409919379   3.7391606584   1.6993875163
H   -0.9373064543   2.4499934645   1.1906052683
H   -0.0222628506   1.5152692004  -2.2710510682
H   -3.3900277376  -0.1731354857   0.9177503032
H    1.8209154637  -2.8735795469  -1.4895233680
H   -0.8801598470   1.4611982577   3.4889767757
H    0.2237070364   2.7281800647   4.0192309584
H   -1.4188927776   3.1339107170   3.5397423821
H    4.7453061870   0.0817795589  -0.7785834747
H   -2.2055046898   2.6076719535  -2.1046810545
H    4.3241307401  -3.8967797293  -1.9240975220
*