! 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   -2.2895031677  -0.1643122443  -1.5890016174
O   -1.7413769984   0.9469505214   1.9683413659
N   -2.0535392748  -0.3202000469   0.0821129741
C    1.1081056706  -0.7437021390  -0.0417669836
C    0.6210356544  -2.0821095365   0.5037487756
C    2.6010524988  -0.5280868979   0.1760437266
C   -0.7966538980  -2.4919505233   0.1166186168
C    3.0699621822   0.8326008730  -0.3261627788
C   -1.9292723569  -1.6418133866   0.6766095206
C    4.5687861167   1.0793567683  -0.1840858880
C    5.0523777683   1.1342027749   1.2582262821
C   -1.9287746632   0.8661307077   0.7554834454
C   -2.0547270356   1.9587436428  -0.1944655775
C   -2.2439813624   1.5410074932  -1.4559503036
H    0.5725265081   0.0795367462   0.4360591556
H    0.8852534122  -0.6769174845  -1.1121646471
H    0.7112757393  -2.0850377894   1.5946555883
H    1.2939737504  -2.8673943937   0.1456758824
H    3.1634896137  -1.3184434734  -0.3334861217
H    2.8244025896  -0.6337755861   1.2423185407
H   -0.9751212186  -3.5047514070   0.4854391600
H   -0.8804464534  -2.5614242125  -0.9727889840
H    2.5237414208   1.6199711266   0.2050764804
H    2.7927970056   0.9321705896  -1.3804821294
H   -1.7957856551  -1.4867057630   1.7467036963
H   -2.8771288099  -2.1686886295   0.5504834432
H    5.1179481848   0.3031049192  -0.7256347368
H    4.8168872324   2.0233903498  -0.6765303127
H    4.5129592350   1.8957981423   1.8251969040
H    4.9175294552   0.1832069702   1.7750967042
H    6.1139683945   1.3801289673   1.3082483350
H   -1.9928232118   2.9933571805   0.1055393512
H   -2.3647222300   2.1458842865  -2.3423560208
*