! 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  -4.6385603619   1.9326508700   0.3361507867
F   -0.4238022727  -1.8357171358  -1.7336308519
F   -1.1466583165  -3.0125645138  -0.0837242053
F   -2.5066693659  -2.3469127969  -1.6057645314
O    2.4526531120   1.5583862274  -0.1995360500
N    2.7282584356  -1.2604049093   0.5510127098
N    0.5116258743  -0.8881441218   0.8918058170
N    4.0480898209  -2.7650713429   1.4741059965
C    1.5568429263  -0.5562799924   0.2674096444
C    1.6703833451   0.5393616893  -0.7611119839
C    2.3860591978   2.7826481281  -0.9132467581
C   -0.6905188543  -0.2106231408   0.7185575000
C    1.1829094487   3.6261542129  -0.5282616757
C   -1.7008342054  -0.7238795887  -0.1025179366
C   -0.9298618129   0.9666564338   1.4224806798
C   -2.9148512454  -0.0605092364  -0.2199696465
C    3.9866022466  -1.0614107136   0.0156611562
C    1.1643505307   4.9403872228  -1.2933646916
C    2.8375121723  -2.3073563932   1.4262466908
C   -1.4493900623  -1.9809851831  -0.8776527930
C   -2.1394149018   1.6285413295   1.3102611143
C   -3.1248072804   1.1103723883   0.4864920262
C    4.7755690617  -1.9973008869   0.5960082308
H    0.6652982576   0.8827964495  -1.0217184623
H    2.1157044196   0.1416366963  -1.6833821694
H    2.3953016578   2.5977986787  -1.9958313667
H    3.3067270814   3.3220101540  -0.6769938475
H    0.2539335166   3.0822512956  -0.7231923831
H    1.2115925330   3.8191920133   0.5475049468
H   -0.1602465912   1.3645235980   2.0708944956
H   -3.6969762640  -0.4438800026  -0.8604828925
H    4.2112349056  -0.2939881462  -0.7034370945
H    0.3155223535   5.5560762192  -0.9953111059
H    2.0695747972   5.5239195571  -1.1128673374
H    1.0871045532   4.7774724980  -2.3703353143
H    1.9908895562  -2.6742431761   1.9832611618
H   -2.3029676002   2.5445021756   1.8614277098
H    5.8298385412  -2.1596171303   0.4347355148
*