! 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  -6.0429534292  -3.6606010042   0.2444917227
F    0.8689266617  -2.1266196200   1.4945592657
F    2.1997688589  -2.4461628519  -0.1393838625
F    2.7546615654  -1.1467853910   1.5033477811
O    3.9742276945  -0.5019292041  -0.8103486763
O   -2.3513060753   0.8246423788  -0.4862447986
N    3.1866836365   2.7302803990   0.6402261074
N    3.3187498197   3.8592452232  -0.0592912476
N    1.7652047638   4.1061470203   1.5329160308
C    3.3405235526   0.7509184507  -0.8868741329
C    1.8156488213   0.6413783627  -0.7553302803
C    3.9206372745   1.5351738914   0.3163430428
C    3.7630486478   1.4266589379  -2.1936474207
C    1.1126676275  -0.3387387785  -0.0279110472
C    1.0478134561   1.6381659177  -1.3583591097
C   -0.2788888919  -0.2951199028   0.0524468438
C   -0.3299626356   1.6845698212  -1.2862720393
C   -0.9992317872   0.7065797233  -0.5760413969
C    1.7517350368  -1.5037147984   0.6965627452
C    2.2529822412   2.8905679485   1.5812945593
C    2.4495109672   4.6549914761   0.5109990835
C   -3.1562448427  -0.2665067195  -0.3132075411
C   -4.2038122648  -0.1396507594   0.5867434897
C   -2.9963566391  -1.4334007186  -1.0492920387
C   -5.1007028793  -1.1824054399   0.7545457395
C   -3.8846433209  -2.4820998250  -0.8710959069
C   -4.9308276053  -2.3505385519   0.0288388184
H    3.9236375753   0.9085505308   1.2045270510
H    4.9548991468   1.8100190642   0.1083938956
H    3.3179622125   0.9303598652  -3.0583625112
H    3.5139615712   2.4836908601  -2.2462418021
H    4.8481535018   1.3570822348  -2.2835108395
H    1.5297457229   2.4207031637  -1.9245142297
H   -0.8127219514  -1.0419800847   0.6213045838
H    3.9087236735  -0.9346521420  -1.6688155613
H   -0.8768969324   2.4798624295  -1.7760128444
H    1.9746574338   2.1099906878   2.2725421687
H    2.3086174130   5.6730805756   0.1823874555
H   -4.3258841779   0.7758284088   1.1511317207
H   -2.1923048228  -1.5376299805  -1.7666389772
H   -5.9197850639  -1.0792910101   1.4531466015
H   -3.7596080559  -3.3918389156  -1.4423837244
*