! 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   -3.0432191865   0.7316711037   1.0471182637
O   -2.8085790138   0.0025426682  -2.6402191876
N   -2.3139101354   0.5566243680  -0.4714697334
C    2.1602412433  -1.4977024927   0.4790014791
C    1.3851520822  -0.3565729543  -0.1690399141
C    3.6624254482  -1.4611107710   0.2161818520
C   -0.1182459176  -0.4891414348   0.0324303600
C    4.3809254904  -0.2725264254   0.8437897751
C   -0.8713790466   0.6683142004  -0.6036672193
C    5.8910869160  -0.3186761114   0.6505146917
C    6.6051160047   0.8677225918   1.2791644249
C   -3.1690255038   0.1992620323  -1.4809382967
C   -4.5158310380   0.1134095238  -0.9426057088
C   -4.5738413011   0.3651752970   0.3749272349
H    1.7593677767  -2.4478433378   0.1126021187
H    1.9810928813  -1.4905977668   1.5597142731
H    1.6080764970  -0.3313119662  -1.2412818762
H    1.7189911765   0.6038729476   0.2350592087
H    3.8412548835  -1.4660970892  -0.8647997063
H    4.1082664486  -2.3846160442   0.5990575338
H   -0.3384864118  -0.5326489245   1.1039311718
H   -0.4709562923  -1.4297018128  -0.3997456691
H    4.1545152782  -0.2401954710   1.9157740169
H    3.9976673611   0.6638986291   0.4259207046
H   -0.6624676775   0.7176314986  -1.6718883251
H   -0.5507014711   1.6205763082  -0.1759875558
H    6.2821038428  -1.2477832082   1.0766082043
H    6.1190784742  -0.3573484268  -0.4192406695
H    7.6843981412   0.8129867943   1.1299566216
H    6.2622047864   1.8107360442   0.8489438358
H    6.4249747482   0.9142025454   2.3550027380
H   -5.3677548985  -0.1356963341  -1.5563202420
H   -5.4460702676   0.3635133693   1.0117386149
*