! 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  -5.0797089470   1.4121865032  -0.4891196376
F   -0.7977722861  -2.7241421552   0.6765178590
F   -0.0569578755  -1.0240327577   1.7658528185
F   -2.0264046738  -1.7834089301   2.1645588466
O    2.2921834582   0.9087477242   0.9852796980
N    2.5893504989  -0.9519925484  -1.0922839479
N    0.3236409389  -0.8517928568  -1.1739807345
N    3.9226979920  -2.6070585888  -1.6768140739
C    1.3949211252  -0.2767678750  -0.8366595706
C    1.5215919374   1.0698308688  -0.1727378010
C    2.0866634484   1.9045418574   1.9689850871
C   -0.9286298506  -0.2844182844  -0.9699145522
C    2.6129620330   3.2780718379   1.5903841623
C   -1.7095737258  -0.6203791649   0.1424190480
C   -1.4627347110   0.5714905530  -1.9297644566
C   -2.9861396480  -0.0944605213   0.2881476443
C    3.8755351122  -0.4488767875  -1.0667067811
C    2.4518768944   4.2558550876   2.7453057349
C    2.6910728213  -2.2636152729  -1.4714207719
C   -1.1516747545  -1.5395518416   1.1856158709
C   -2.7343422424   1.0959907143  -1.7885602331
C   -3.4885016602   0.7599914031  -0.6768267551
C    4.6723580121  -1.4810766379  -1.4339003515
H    0.5190966446   1.4476227857   0.0555451426
H    1.9660168767   1.7781176701  -0.8852180377
H    2.6047122525   1.5426501371   2.8599011828
H    1.0190907763   1.9712005142   2.2212265826
H    3.6674762457   3.1989772577   1.3123415566
H    2.0820070227   3.6638515199   0.7152378561
H   -0.8741454297   0.8217046728  -2.8024389325
H   -3.5920677772  -0.3408569579   1.1485961769
H    4.1107018325   0.5672300033  -0.8051341912
H    3.0044571125   3.9272712308   3.6273020828
H    2.8210412943   5.2458851582   2.4779461669
H    1.4050409068   4.3653621172   3.0346613142
H    1.8251593097  -2.8984965378  -1.5640265828
H   -3.1278090368   1.7623129253  -2.5440027403
H    5.7459499186  -1.4788766025  -1.5369453190
*