! 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
S   -1.9016400780   1.1952546887   0.1425722820
F    1.3761385214  -2.6622369946   0.2118942395
F    0.5384387848  -4.3678091722  -0.8008352617
F    1.0447077054  -2.5924474850  -1.9105939048
O   -1.9368781703   1.9257039794  -1.1068399145
O   -2.8226531586   1.5017396045   1.2134571922
O   -4.6163150314   0.4845502583  -0.7700420956
O   -5.4475156268  -1.0108552687   0.6784315076
O   -0.5583426281   0.0380164069   2.5111820923
O    5.9487017748   0.9262546244   0.8233529777
O    2.7959641267   2.9222772503  -1.9377748772
N   -0.8673034147  -1.1644819933  -0.3752285741
N   -0.3419657115   1.3515915483   0.6649382747
N    1.5193157790   0.5990309943   1.8313251585
N    3.7309861562   0.7691830583   1.3349713298
N    2.1345330211   1.7745341646  -0.0779492099
C   -2.0198541103  -0.5801505731  -0.1828907348
C   -3.2358782697  -1.2553682286  -0.1467184303
C   -0.8376255375  -2.4777305236  -0.5257806444
C   -3.1871282805  -2.6349232251  -0.2695266010
C   -1.9692538353  -3.2677789959  -0.4632025004
C   -4.5582830328  -0.5841794008  -0.0079265197
C    0.5412436070  -3.0363725286  -0.7572043208
C    0.1501053963   0.6221469066   1.7239816465
C    2.4972090089   1.0758172437   0.9841212311
C    4.6924637807   1.2093597285   0.5356581771
C    3.1084213590   2.2165273428  -0.8680035116
C    4.4438809921   1.9615040419  -0.6071541706
C   -5.7840546587   1.3059077697  -0.6827044632
C    6.2299976566   0.1309969029   1.9719727446
C    1.4234485665   3.1915753821  -2.2129735540
H   -4.0973376930  -3.2175419089  -0.2264795426
H   -1.9271063286  -4.3423325129  -0.5612754532
H    1.8638517683   0.0715975529   2.6231477985
H    5.2360298906   2.3180824481  -1.2491692126
H   -5.6120708587   2.1366667818  -1.3599753698
H   -6.6725070121   0.7592183649  -0.9962309543
H   -5.9235968809   1.6843044860   0.3294148179
H    7.3105892993   0.0155831272   1.9900038944
H    5.7652432308  -0.8528177529   1.9053867944
H    5.9064884842   0.6197082640   2.8911142251
H    1.4185084930   3.7937731293  -3.1175899172
H    0.8615638267   2.2753381634  -2.3994881777
H    0.9537601914   3.7600426079  -1.4095037291
H    0.3555310379   1.7135408839  -0.0041414541
*