! 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   -1.1390926719   1.3570013647  -1.5401806745
O   -1.8311924669   1.3740898049  -2.8114399688
O   -0.7183739437   2.6110503735  -0.9417733260
O    0.5591987084  -0.1854031789   1.2907716091
O   -0.7194765743  -1.4621750436  -2.2792656619
O   -6.3612065191  -2.2721542377   1.3183864521
O    5.1504786429  -2.5232856432   0.8501519296
O    3.9688489338   1.9114593695   0.1585058907
N    0.2700909239   0.4903420585  -1.6801278793
N   -0.1826463686   1.7773749102   2.1511044390
N   -5.3853524915  -1.1778199844  -0.4440912870
N    1.4314071668  -1.5171016438  -1.5906639221
N    3.2904643724  -2.0238421293  -0.3820319900
N    2.7289452066   0.2330040155  -0.7788752350
C   -2.1221441177   0.4540524257  -0.3701095985
C   -1.7029754246   0.3029835606   0.9501974954
C   -3.3369377728  -0.0363105903  -0.8084651604
C   -4.1817065489  -0.7075768596   0.0737053009
C   -2.5561602206  -0.3700323002   1.8125430663
C   -0.3300226795   0.6428862672   1.4613906772
C   -3.7803684935  -0.8678413377   1.3982661437
C   -1.2002918099   2.7998123330   2.2671373770
C    1.1069875763   2.1439489576   2.6998952460
C    0.2580342658  -0.8669366347  -1.8761757369
C    2.5285550434  -1.0691904274  -0.8798664483
C   -6.3551382220  -1.8974082296   0.1614659474
C    4.3376816919  -1.6220392596   0.3248529424
C    3.7553283446   0.6193331088  -0.0303820461
C    4.6240758685  -0.2829159508   0.5590225941
C    4.8662692766  -3.9075605955   0.6589734332
C    3.0994623403   2.8557007092  -0.4591276907
H   -3.6385816391   0.0927798939  -1.8393636713
H   -2.2635060387  -0.5153891774   2.8442006396
H   -4.4010749902  -1.3797035328   2.1144022509
H   -5.5573522526  -0.9700277444  -1.4175124162
H   -2.1462854158   2.4810754206   1.8407251992
H   -0.8854432651   3.7107829480   1.7572595348
H   -1.3684541574   3.0389316877   3.3177419645
H    1.4713202179   3.0612303173   2.2335039935
H    1.0188202473   2.3257718630   3.7716148091
H    1.8354486693   1.3556407723   2.5427134689
H    1.3775236038  -2.5213755320  -1.6970900765
H   -7.1740607416  -2.1156270592  -0.5345029315
H    5.4664518770   0.0326956585   1.1566244777
H    4.8867113988  -4.1820939037  -0.3949083157
H    3.9026012875  -4.1834155325   1.0852507053
H    5.6539473098  -4.4421985083   1.1820239810
H    3.1431881610   2.7940577043  -1.5461164330
H    3.4531952469   3.8328073750  -0.1437946642
H    2.0666585055   2.7376851142  -0.1314804256
H    1.1314486297   0.8897283212  -1.2755035299
*