! 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   -0.9626111461   1.0024291572  -1.3784374195
O   -3.2099459368  -0.5155208212   1.2367586205
N   -1.8382142453  -0.2078629981  -0.5762122928
C    1.8197587582  -2.1159043975   0.7678509530
C    0.3031037670  -1.9780804944   0.6546113374
C    2.6190137982  -0.9478255356   0.1889013928
C   -0.2051168109  -2.0595077619  -0.7801960352
C    2.3770393391   0.3813509634   0.8958083767
C   -1.6459411046  -1.6009514882  -0.9478491185
C    3.1537548949   1.5525391705   0.3010553340
C    4.6659699694   1.4229801902   0.4141213524
C   -2.5470157457   0.2264195858   0.5146141971
C   -2.3721928961   1.6637687575   0.6433229101
C   -1.5570971595   2.1814210259  -0.2888062055
H    2.1322716490  -3.0413800129   0.2740718740
H    2.0862873951  -2.2335979645   1.8225034686
H   -0.0092850177  -1.0368479296   1.1150336236
H   -0.1766015994  -2.7653779883   1.2423993091
H    2.4021437818  -0.8306569111  -0.8782496005
H    3.6802158854  -1.2051898115   0.2455375010
H   -0.1461674859  -3.0912675255  -1.1354106410
H    0.4352483026  -1.4818485829  -1.4532807944
H    2.6297102867   0.2787361007   1.9573172426
H    1.3123917046   0.6293670762   0.8600573165
H   -2.3149190197  -2.1830283197  -0.3154906627
H   -1.9759553848  -1.7445510797  -1.9779923123
H    2.8726944373   1.6723450705  -0.7500627895
H    2.8385223519   2.4718321457   0.8019311430
H    5.0510917482   0.5742759222  -0.1523845756
H    5.1672771521   2.3152437289   0.0363668581
H    4.9736731410   1.2904586238   1.4536021810
H   -2.8519818236   2.2348180121   1.4232879529
H   -1.2632550948   3.2132307856  -0.4131074754
*