! 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   -3.4855870081  -0.3436011838   0.1304950359
O   -0.5951202846   1.7665787667  -1.0329824628
N   -1.9183456755   0.0090716187  -0.4023055243
C    2.0019806311  -1.9965206703   0.0795394437
C    0.8131581365  -2.2868011325   0.9943738536
C    2.6770999367  -0.6541765554   0.3363330097
C   -0.2845786504  -1.2268998079   0.9872211739
C    3.9463739633  -0.4699898400  -0.4878753205
C   -0.8857915582  -1.0106842671  -0.3933369478
C    4.5974843352   0.9019749978  -0.3407053024
C    5.1403276994   1.1844274720   1.0527985264
C   -1.6849040470   1.3332845225  -0.6783084386
C   -2.9244106012   2.0710421584  -0.4818296507
C   -3.9343637975   1.2998297622  -0.0500507928
H    1.6958709002  -2.0532625529  -0.9704647456
H    2.7358936941  -2.7980774378   0.2111353443
H    1.1731489433  -2.3970790892   2.0214071400
H    0.3812003345  -3.2550786501   0.7225099037
H    2.9044510764  -0.5679192280   1.4041864815
H    1.9850304601   0.1640669774   0.1063084784
H    0.1026897791  -0.2752352689   1.3607419629
H   -1.0729266262  -1.5298810447   1.6824513432
H    3.7086590140  -0.6375504255  -1.5437011742
H    4.6718038437  -1.2456540951  -0.2163640050
H   -1.3051136009  -1.9394790579  -0.7871624705
H   -0.1296105450  -0.6840562142  -1.1067081109
H    5.4148188307   0.9846176410  -1.0628249129
H    3.8745713994   1.6767916179  -0.6162188308
H    4.3516649571   1.2161362027   1.8060833718
H    5.8571086291   0.4191899367   1.3598982724
H    5.6553734746   2.1459875021   1.0882194375
H   -2.9983758961   3.1326240508  -0.6627860758
H   -4.9478919639   1.5998235251   0.1735396372
*