! 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   -3.3473210139   0.0279999175   1.0311453952
O   -2.8229545069   0.5380529476  -2.6623142860
N   -2.5981976770  -0.1243442330  -0.4800754337
C    2.3291751695  -0.0236287821   0.4562769655
C    1.1572639887  -0.7661943237  -0.1726937507
C    3.6637102434  -0.7318692792   0.2628123567
C   -0.1689442104  -0.0430654509   0.0196459046
C    4.8341099733   0.0114745527   0.8936858957
C   -1.3259259093  -0.8125590181  -0.6000601750
C    6.1723357210  -0.6904466658   0.7009719920
C    7.3328423315   0.0601856939   1.3355685800
C   -3.2354758077   0.5248278437  -1.5090208018
C   -4.4387720338   1.1532677915  -0.9836385504
C   -4.5992779381   0.9674220375   0.3353549819
H    2.1408387250   0.1093946522   1.5273250459
H    2.3882832914   0.9846546213   0.0319704871
H    1.0916871434  -1.7718644531   0.2566891893
H    1.3445520468  -0.9036883453  -1.2430190044
H    3.8522663842  -0.8639103075  -0.8084429948
H    3.6044085164  -1.7410394824   0.6856946267
H   -0.1197711600   0.9532565794  -0.4291889891
H   -0.3500874594   0.1036586175   1.0894493195
H    4.6460958575   0.1424792145   1.9653615071
H    4.8917703404   1.0215745225   0.4725169564
H   -1.4154154641  -1.8057245083  -0.1533025124
H   -1.1569395680  -0.9613794414  -1.6665906312
H    6.1171097883  -1.6994559721   1.1220212689
H    6.3633121203  -0.8200295046  -0.3690687749
H    7.1919501762   0.1750253104   2.4125019264
H    8.2795186983  -0.4611637319   1.1842013851
H    7.4395568055   1.0609989235   0.9116219566
H   -5.1152399599   1.7137772621  -1.6107680194
H   -5.4005248620   1.3302025355   0.9626318199
*