! 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   -1.0565491314   0.8084919875  -1.4859144809
O   -3.1012533199  -0.5090474499   1.3845944440
N   -1.9360243801  -0.3136318988  -0.5733698520
C    1.0493490543  -1.0977218995   0.6280430248
C    0.5508246654  -2.1081568101  -0.4018641556
C    2.4119446320  -0.5185294549   0.2737581150
C   -0.8958468202  -2.5629683375  -0.1983514819
C    2.9393212334   0.4423337351   1.3319321350
C   -1.9404738935  -1.7253007207  -0.9238639047
C    4.3128177164   1.0294389345   1.0201944599
C    4.3383395361   1.9184711552  -0.2154788660
C   -2.4616163104   0.1805441795   0.5917864077
C   -2.1377016117   1.5932555380   0.6888212313
C   -1.3965741762   2.0346202399  -0.3414662055
H    1.0985091493  -1.5879043294   1.6064337729
H    0.3400992838  -0.2733675632   0.7470542257
H    1.2064384452  -2.9819927531  -0.3612188554
H    0.6733034160  -1.7032813821  -1.4130670097
H    2.3321065106  -0.0081433183  -0.6911233566
H    3.1318711446  -1.3323321115   0.1301088626
H   -1.1314020073  -2.6047259625   0.8683882327
H   -1.0215899339  -3.5810326214  -0.5740847786
H    2.9862663986  -0.0813804835   2.2918840680
H    2.2215204424   1.2590673918   1.4682065630
H   -2.9401645965  -2.1092942011  -0.7213553016
H   -1.7971772293  -1.8007621406  -2.0024998087
H    4.6515815368   1.6104917084   1.8819818972
H    5.0365639029   0.2170993852   0.9017933942
H    5.3210175887   2.3706541144  -0.3567915226
H    4.1052789930   1.3649894916  -1.1259923267
H    3.6130843238   2.7306835441  -0.1309835591
H   -2.4640282812   2.2054129803   1.5159539519
H   -1.0262658528   3.0352909771  -0.5099881026
*