! 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   -1.8839543580   0.5688269527   1.4442201385
O   -2.6512627853   1.6908381550   1.9481450158
O   -2.0253443014  -0.7194819325   2.1014518022
O   -0.0902701239  -1.7667287417   0.1656281587
O    0.3877289735   0.3061434103   3.4190640993
O   -1.8639703938  -3.0871998622  -0.1805792882
N   -0.2789498884   1.0034981283   1.3513301194
N    1.9413077795   0.5386355772   1.7909370163
N    3.6699434331   0.2572398738   0.3217794428
N    1.5618604365   0.9701547547  -0.4630063796
C   -2.2043124025   0.3748679080  -0.2871717516
C   -1.9227609113  -0.8330378612  -0.9279158223
C   -2.7756026505   1.4377622951  -0.9682877646
C   -2.2383340312  -0.9575820407  -2.2726091316
C   -3.0551835621   1.3053553876  -2.3204817917
C   -2.7879893046   0.1110080486  -2.9681284932
C    0.6521348308   0.5841015370   2.2680484919
C   -1.3108103474  -2.0197164121  -0.2523585189
C    2.4005265597   0.5920999987   0.4848850409
C    4.1330587852   0.2822881969  -0.9253011607
C    1.9998950082   0.9664017627  -1.7231402745
C    3.3114568460   0.6270360134  -1.9949924835
C    5.5610277368  -0.0782699735  -1.1505769262
C    1.0135216496   1.3002522870  -2.7875270836
C    0.6069624754  -2.8018926590   0.8659714756
H   -3.0083330294   2.3635361624  -0.4610691116
H   -2.0405605543  -1.8880261517  -2.7876100830
H   -3.4917675552   2.1352007442  -2.8579002818
H   -3.0124297197   0.0021587487  -4.0200352985
H    2.6319242170   0.2667203917   2.4781077638
H    3.6899342635   0.6289997596  -3.0074503211
H    6.0965986972   0.7554607216  -1.6063335391
H    6.0572406515  -0.3438636622  -0.2206278682
H    5.6381945788  -0.9196393945  -1.8401190922
H    0.2160109143   1.9341713597  -2.4034601570
H    1.4877681591   1.7939278804  -3.6336408570
H    0.5556275693   0.3812396849  -3.1604576986
H    0.6242197716  -3.7300581519   0.2971320523
H    0.1577973131  -2.9765443923   1.8430606356
H    1.6247821734  -2.4448259592   0.9927796467
H    0.1067410282   1.1552015157   0.3926558351
*