! 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  -3.3081661832  -2.7968871591  -1.5296941127
F    6.1005423604   0.5010971630   0.6890566266
F    4.5153327297  -0.8496959496   1.1995059122
F    5.4680474844  -0.9759234569  -0.7297338906
F   -5.6513835374   1.7418161725  -0.3493186270
F   -5.5023571424   1.4555396105   1.7764443427
F   -4.2247409839   2.8772253771   0.7957807192
O    2.6103383135  -1.8610268764  -0.8087360257
N    1.1732476325  -0.9240360368   0.6699100416
N   -1.6314738408  -0.2929883131   1.0110651384
C   -0.7621050495  -2.3787648996   0.1152999868
C    0.4446843975  -2.1245476577   1.0060778235
C   -1.8353144940  -1.3360733006   0.2165227370
C    2.6790090004   0.4982533838  -0.5116479496
C    2.1630968999  -0.8838668479  -0.2283337092
C    4.0223875421   0.8512292933  -0.3567969717
C   -3.0333139725  -1.4447668533  -0.4951035140
C   -3.7620508930   0.6022318794   0.4579041011
C   -4.0094137489  -0.4766612223  -0.3769970837
C    1.7848504967   1.4376359659  -1.0107986984
C    4.4457575263   2.1265721427  -0.7073296745
C   -2.5537215155   0.6473620881   1.1345854662
C    5.0227764365  -0.1216672987   0.1974146471
C    2.2136908066   2.7068254855  -1.3697564992
C    3.5457784141   3.0502274637  -1.2183287406
C   -4.7862213147   1.6712631815   0.6651984216
H   -0.4412077147  -2.4715382125  -0.9266171842
H   -1.1825747173  -3.3532423515   0.3797579304
H    0.1395775611  -2.0508416953   2.0490785841
H    1.1172560765  -2.9779025661   0.9331430053
H    0.8382669791  -0.0631914505   1.0715542002
H   -4.9354504535  -0.5706138505  -0.9283919091
H    0.7433167495   1.1716356235  -1.1415608462
H    5.4789594374   2.4198157542  -0.5827806571
H   -2.3085716140   1.4679879767   1.7985579372
H    1.5052097816   3.4222492918  -1.7652671775
H    3.8910325362   4.0384460085  -1.4900959507
*