! 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   -1.0502909469   1.3503396393  -0.6570262324
O   -3.9343987165  -1.0271142028  -0.2438287948
N   -1.9035620638  -0.1070945011  -0.7479365783
C    1.6232620934  -1.1749393910  -0.1028410234
C    0.3793382639  -1.5900407374   0.6731032631
C    2.7064966217  -0.5753442276   0.7839871319
C   -0.7143764123  -2.2208264817  -0.1817084027
C    3.9445840908  -0.1526054315   0.0023136504
C   -1.2898044479  -1.3192345277  -1.2658343088
C    5.0827268495   0.3815320289   0.8667813391
C    4.7524854263   1.6759199876   1.5960849987
C   -3.1848707960  -0.0575260234  -0.2597220292
C   -3.4549534859   1.2967995265   0.1975693806
C   -2.4092873736   2.1237089085   0.0415620578
H    1.3663068113  -0.4455424124  -0.8789634655
H    2.0230792087  -2.0445675559  -0.6363951218
H   -0.0217690533  -0.7286758887   1.2172869645
H    0.6673277711  -2.3115249977   1.4437524015
H    2.9929843817  -1.3031946614   1.5516625788
H    2.2893231795   0.2829918783   1.3204418807
H   -1.5297202653  -2.5640547748   0.4595766242
H   -0.3229379444  -3.1128153161  -0.6805282945
H    3.6651330445   0.6074172054  -0.7364999909
H    4.3097060684  -1.0098721059  -0.5726337303
H   -2.0556876020  -1.8548015722  -1.8273765297
H   -0.5279788885  -1.0330759369  -1.9922007942
H    5.3756872624  -0.3834549258   1.5931747144
H    5.9596671335   0.5444794875   0.2339519319
H    5.6180063018   2.0521072224   2.1441335897
H    4.4448927034   2.4570600136   0.8967714590
H    3.9458823716   1.5486958048   2.3198832926
H   -4.4078083878   1.5839493372   0.6160024759
H   -2.3469961954   3.1706595367   0.3010011148
*