! 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  -4.7647195761   1.8446306439  -0.3642015798
F   -1.0687714846  -2.9611671195  -0.2027485626
F   -0.4446735469  -1.8892830755   1.5545605203
F   -2.4988368317  -2.4735336364   1.3218251920
O    2.4576508072   1.6107772542   0.4918416377
N    2.7311975208  -1.0605141890  -0.6193075366
N    0.5186298645  -0.7043127851  -0.9654676773
N    4.8349612973  -1.7174002453  -0.5523536855
C    1.5429753638  -0.4100274866  -0.2903821049
C    1.6029810894   0.5642074372   0.8591116739
C    2.7480076734   2.5081019973   1.5509212586
C   -0.7098014733  -0.0858898141  -0.7670447658
C    1.5696890723   3.3668936229   1.9785113755
C   -1.7214738072  -0.7052871638  -0.0243658389
C   -0.9799231125   1.1330532346  -1.3837560658
C   -2.9677091465  -0.1074363946   0.1002420518
C    2.8847362504  -1.9911982984  -1.6279209831
C    0.9488590796   4.1571347658   0.8374569889
C    3.9521382329  -0.9418442458  -0.0089312810
C   -1.4387205572  -2.0082489979   0.6577650614
C   -2.2208237781   1.7315919587  -1.2622203737
C   -3.2081969493   1.1057214494  -0.5200326123
C    4.1810863709  -2.3769449352  -1.5662457012
H    1.9572863559   0.0423474330   1.7594728027
H    0.5891824217   0.9120004366   1.0779352745
H    3.5535717659   3.1441622190   1.1783240370
H    3.1415277666   1.9561998662   2.4151500405
H    0.8069429174   2.7596975501   2.4747548165
H    1.9433146140   4.0515608983   2.7448613130
H   -0.2107170477   1.6096274778  -1.9768604194
H   -3.7516362728  -0.5759921024   0.6783119396
H    2.0737138344  -2.2820879762  -2.2715814869
H    0.1604051957   4.8160040350   1.2024906828
H    1.6910247188   4.7806722248   0.3346836053
H    0.5023198917   3.5067944233   0.0839755415
H    4.1339482559  -0.2775403836   0.8191486432
H   -2.4096559432   2.6802186325  -1.7460757055
H    4.6851492116  -3.0961467413  -2.1924185498
*