! 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   -1.5744554371   0.3063187138   1.5192143767
O   -2.1638970114   1.2674479156   2.4266716490
O   -1.4280081859  -1.0765565079   1.9374945246
O   -1.9617150711  -3.0004752578  -0.5669271513
O   -0.5671270555   2.9184859937   0.5545534018
O   -0.1779788979  -1.6701935671  -0.8064330535
N   -0.0348325677   0.7807273895   1.1306604262
N    1.5413382089   2.1971515760   0.1952871624
N    3.6597138971   1.7618047382  -0.5266438554
N    2.3861661765   0.0506304686   0.4892897547
C   -2.4765409772   0.3321571330  -0.0038865478
C   -2.3595084749  -0.7298182416  -0.9013897110
C   -3.3517417755   1.3802072157  -0.2401026105
C   -3.1410913658  -0.7217980685  -2.0472539962
C   -4.1108189823   1.3826520773  -1.4008509274
C   -4.0052948475   0.3348548004  -2.3000319267
C    0.2499273681   2.0222789677   0.6240167611
C   -1.3682310895  -1.8370394680  -0.7322046796
C    2.5691637672   1.2820264535   0.0548551034
C    4.6590638771   0.9061041047  -0.7061956977
C    3.3772195826  -0.8258164264   0.2992747077
C    4.5500653845  -0.4250980455  -0.3082451216
C    5.9049440188   1.4049989153  -1.3533252881
C    3.1466918997  -2.2165023637   0.7768068875
C   -1.1167323624  -4.1501110258  -0.4344188714
H   -3.4557868362   2.1867970605   0.4705877612
H   -3.0690839866  -1.5359786285  -2.7558501044
H   -4.7898461502   2.2014450908  -1.5922780978
H   -4.6012620977   0.3309279640  -3.2020649234
H    1.7386249689   3.1220020705  -0.1630099360
H    5.3612004886  -1.1206035432  -0.4703296679
H    6.1349645171   0.8178003605  -2.2430228299
H    5.8156548354   2.4501714825  -1.6383690108
H    6.7534081528   1.2999432620  -0.6758470863
H    3.9472633092  -2.8854870554   0.4704151233
H    3.0828596291  -2.2348234844   1.8660113709
H    2.2002028577  -2.5971403153   0.3921163249
H   -1.7843695753  -4.9922665504  -0.2832417257
H   -0.4551626359  -4.0531618329   0.4256559472
H   -0.5252924498  -4.3114311753  -1.3344565367
H    0.7054855916   0.0592745014   1.0373477268
*