! 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  -1.6469008462   0.8247108251  -3.0651252649
Cl  -2.9204500753   3.5530294493   1.3503883916
F    2.8495907730  -0.3738008288   1.5216128261
F    4.0467412259  -1.2542731501  -0.0431647868
F    4.9660804273   1.1456788073   0.8323879806
F    3.0695558651   2.0977204992   0.3116646806
O    2.1112735915  -0.2794116219  -0.5860227611
N   -1.5109867732  -2.7104078547  -0.1362064038
N   -0.7998418685  -3.4692690334   0.7017302450
N   -2.7941373474  -2.9804741368   1.5919109930
C   -0.0205676228  -1.0557703515  -1.2551702517
C   -0.9637235035  -2.2591705354  -1.3923439428
C    1.2787156157  -1.4468776278  -0.5699930041
C   -0.7252608784   0.1100929005  -0.6064353742
C   -1.4944702507   1.0070716064  -1.3460567736
C   -0.6839063897   0.3129856827   0.7709127537
C    3.1790597233  -0.2407076940   0.2118267666
C   -2.1726590516   2.0663509051  -0.7627003335
C   -1.3525168155   1.3565258810   1.3867288583
C   -2.6947278504  -2.4220665438   0.4092541462
C   -2.0889369216   2.2321890930   0.6080744741
C    3.9064969175   1.0854870673  -0.0047388269
C   -1.6084148620  -3.6052474597   1.7227333134
H    0.2419607585  -0.7865175599  -2.2813928888
H   -1.7985764215  -1.9976616208  -2.0409477671
H   -0.4446412966  -3.0955277301  -1.8605631217
H    1.1265701059  -1.8088312321   0.4471876011
H    1.7533176736  -2.2492503934  -1.1392340383
H   -0.1148216206  -0.3564859953   1.4018032165
H   -2.7532390153   2.7470186918  -1.3699018205
H   -1.2923235769   1.4807221987   2.4588820110
H   -3.4411033718  -1.8209275558  -0.0867762336
H    4.2478676013   1.2017536827  -1.0339994865
H   -1.3344846057  -4.1837863836   2.5915139320
*