! 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 "WATER"
end
*xyz 0 1
S   -2.1289926360   0.3334766971   1.1055778757
O   -0.9948768696   0.2794131755  -2.4867464140
N   -1.8543634046  -0.3042624534  -0.4409255135
C    1.1677819750  -1.2405454156   0.4249594749
C    0.4751573870  -2.3644716833  -0.3403031602
C    2.6185755306  -1.0550779245  -0.0028151243
C   -0.9857147581  -2.6091978878   0.0390374647
C    3.3460314491   0.0700110245   0.7278458867
C   -2.0092186910  -1.7310702763  -0.6685430791
C    2.7802910260   1.4601097764   0.4572954517
C    3.5954870075   2.5630040056   1.1153513239
C   -1.2938169029   0.5755432559  -1.3318027406
C   -1.1370975796   1.8650707088  -0.6785576396
C   -1.5319058444   1.8577751622   0.6042216376
H    1.1302091073  -1.4595884954   1.4975842779
H    0.6318686073  -0.2997400599   0.2931515112
H    1.0339033719  -3.2876916697  -0.1621496997
H    0.5466852795  -2.1766606839  -1.4165356936
H    2.6544312574  -0.8639665325  -1.0810010892
H    3.1594520391  -1.9935278985   0.1553204397
H   -1.1093848041  -2.5346895061   1.1240859478
H   -1.2585701658  -3.6355189485  -0.2178472416
H    4.4003014664   0.0572853876   0.4333889479
H    3.3322397418  -0.1244921344   1.8058959897
H   -3.0176969615  -2.0231958742  -0.3706910112
H   -1.9487798696  -1.8764687762  -1.7462812552
H    2.7416013349   1.6283710722  -0.6236417970
H    1.7463218813   1.5224337031   0.8071380027
H    3.1752626815   3.5484561386   0.9100604613
H    3.6269932648   2.4397948946   2.1996596888
H    4.6263582428   2.5637509746   0.7560276116
H   -0.7293317880   2.7241795982  -1.1886781214
H   -1.5198399233   2.6798759903   1.3044940496
*