! 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   -1.9330269714   1.2684185787   0.1349807686
F    0.8104535778  -3.4372810664  -1.8368741280
F    1.6239655136  -2.0468794802  -0.4089816285
F    0.8858319397  -3.9595981673   0.2479048257
O   -1.9583898724   1.9632933869  -1.1348097841
O   -2.9019183359   1.5665422231   1.1657752861
O   -4.6110355658   0.4059745526  -0.8430204241
O   -5.3738083200  -1.0247420703   0.7064686402
O   -0.6254388272   0.2349240119   2.5828054885
O    5.8472165714   0.6440131652   0.6353727017
O    2.7413788677   2.8540743873  -2.0144467440
N   -0.7893810473  -1.0610085202  -0.2906509363
N   -0.3969839393   1.4974944341   0.7009926332
N    1.4582796191   0.7054487630   1.8544022129
N    3.6523446607   0.6866334562   1.2561770251
N    2.0793927359   1.8005473442  -0.1000650101
C   -1.9722634703  -0.5177006325  -0.1432462370
C   -3.1600586326  -1.2358644579  -0.1196523015
C   -0.7076499880  -2.3713436831  -0.4070848469
C   -3.0579859724  -2.6174502119  -0.2084042851
C   -1.8143171231  -3.2030987674  -0.3575153311
C   -4.5082442651  -0.6099728356  -0.0159893581
C    0.6716571044  -2.9495016001  -0.5998413756
C    0.0894887299   0.7754231603   1.7706679108
C    2.4327711401   1.0891338898   0.9566641246
C    4.6071468369   1.0301168069   0.4029706784
C    3.0463447247   2.1436732595  -0.9457356808
C    4.3667692718   1.7802321571  -0.7429910327
C   -5.8127065594   1.1804834616  -0.8024379900
C    6.1140703661  -0.1630017680   1.7791969065
C    1.3808456818   3.2160221162  -2.2393004784
H   -3.9470050262  -3.2325742985  -0.1766914305
H   -1.7242005240  -4.2777257033  -0.4309825631
H    1.7974999411   0.1778353869   2.6484212412
H    5.1531542697   2.0543424845  -1.4308881808
H   -5.9430265870   1.6489666538   0.1711440675
H   -5.6957444129   1.9467680822  -1.5609158846
H   -6.6826754631   0.5697847807  -1.0355521771
H    5.5659748394  -1.1048324367   1.7448943588
H    5.8752908195   0.3578593785   2.7063675452
H    7.1806730589  -0.3694739862   1.7486926241
H    0.7496432330   2.3386791274  -2.3864716506
H    0.9845566409   3.8272692210  -1.4277441859
H    1.3810504025   3.8036969433  -3.1533896047
H    0.3096579294   1.8243103061   0.0221903587
*