! 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  -1.7135988118   0.5855985885  -3.0379602950
Cl  -3.3441270863   3.3201568404   1.2553794389
F    3.6647532434  -1.0266130421   0.9818588019
F    4.1194155481  -0.5979395162  -1.0834903566
F    5.1760047728   1.2160984985   0.6040630384
F    3.2162752157   1.6146012138   1.4829001180
O    2.0814759510  -0.1225797309  -0.3114677788
N   -1.5558141683  -2.6221125619  -0.0701014023
N   -0.9720276620  -3.0971447766   1.0316410990
N   -3.1495733016  -2.7331160845   1.3973262995
C    0.0591467466  -1.0529198641  -1.1357751566
C   -0.8034194028  -2.3212698399  -1.2625742371
C    1.3478031775  -1.3526924434  -0.3881388102
C   -0.7515055759   0.0750340017  -0.5450678085
C   -1.6039825893   0.8525399037  -1.3268241646
C   -0.7420342500   0.3410399024   0.8222798704
C    3.3837868427  -0.1662253254  -0.0241455475
C   -2.4031024231   1.8515482731  -0.7920576767
C   -1.5292201281   1.3276977353   1.3890418612
C   -2.8511942245  -2.4013738031   0.1645633363
C   -2.3548071855   2.0795348355   0.5713638707
C    3.8498105008   1.2413448043   0.3484621419
C   -1.9652627716  -3.1505087115   1.8836045684
H    0.3456286283  -0.7911549228  -2.1572630958
H   -1.5204406775  -2.1978240789  -2.0721613693
H   -0.1844985709  -3.1827512293  -1.5149920316
H    1.1692779973  -1.7422852172   0.6145272716
H    1.9034672387  -2.1086965021  -0.9478761321
H   -0.1095071075  -0.2354985053   1.4831107089
H   -3.0506195402   2.4363499176  -1.4304924406
H   -1.4943033844   1.5029354306   2.4552252536
H   -3.5259812648  -2.0125006642  -0.5823657579
H    3.6423423272   1.9653092551  -0.4404568672
H   -1.8316772995  -3.5066980582   2.8933623664
*