! 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   -1.4780876119   1.7020375672   0.5385937234
O   -3.9990432102  -1.2452717639   0.0257623045
O   -2.1143021555   1.7590291822   1.8334791482
O   -1.1406160877   2.9339253903  -0.1405991144
O   -0.8668243897  -1.0820869150   1.3493460975
O    3.7933115527   3.0095853106   0.4181260247
O    5.8720551821  -0.7798284428   2.1113502274
N   -2.4519073784   0.7635020981  -0.3770640176
N   -0.0239450949   0.9013680861   0.6226243812
N    1.3720664122  -0.7948609270   1.3715673774
N    2.5701163895   1.1316719438   0.8694915464
N    3.6177362625  -0.7981866243   1.7323004729
C   -4.4815207961  -2.8811870814  -1.5727017173
C   -5.7184961873  -3.3203888071  -0.8342022238
C   -4.4684486773  -4.0889974262  -0.6528037358
C   -3.7658234456  -1.6780882818  -1.1004985464
C   -2.7604603180  -1.0251770589  -1.9749183784
C   -2.1074574704   0.1715642212  -1.5940024801
C   -2.4117415635  -1.6016514641  -3.2005874591
C   -1.1697866916   0.7484046903  -2.4468865081
C   -1.4644419856  -1.0385724101  -4.0318572967
C   -0.8486657203   0.1431025288  -3.6483492263
C    0.0883781536  -0.3658200281   1.1341368267
C    2.5695687777  -0.1126381634   1.3164885108
C    3.7413534305   1.7604583203   0.8481227859
C    4.7787503816  -0.1586332295   1.7022727855
C    4.9133092273   1.1529670958   1.2621300298
C    2.5874831704   3.6500546360   0.0071225147
C    5.7713733327  -2.1190787050   2.5895483874
H   -4.4643731285  -3.1006656757  -2.6288889819
H   -6.0636501916  -2.6999817338  -0.0182046271
H   -6.5023691311  -3.7486666762  -1.4439554343
H   -4.3677096706  -5.0530085997  -1.1323169334
H   -3.9335946917  -3.9878363075   0.2826279535
H   -2.8775807644  -2.5226032891  -3.5163174390
H   -0.6914276994   1.6825677384  -2.1947853294
H   -3.0892105115   0.1712098747   0.1749218479
H   -1.2145086503  -1.5133754057  -4.9698998550
H   -0.1140518107   0.6094945215  -4.2906833173
H    1.4338327371  -1.7413790707   1.7228015522
H    5.8647817346   1.6635543125   1.2483635755
H    1.8684713569   3.7164076670   0.8239290880
H    2.1362227628   3.1480856035  -0.8491211593
H    2.8744579353   4.6553506056  -0.2875515790
H    5.1235835039  -2.1876278417   3.4628967602
H    6.7806773629  -2.4054172567   2.8714365040
H    5.4095375632  -2.7973245753   1.8176043883
H    0.8482977219   1.4445171056   0.5262227473
*