! 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   -1.7933305084   0.4690029707   1.2564914928
O   -1.5701352020   0.4864754127  -2.5031634376
N   -1.8078463820  -0.1644615942  -0.3164141771
C    2.1625683650  -2.0760167685  -0.3951683297
C    0.7947146882  -1.6365571415  -0.9089694950
C    2.5007044571  -1.5949120078   1.0179890940
C   -0.3735907229  -2.1778483429  -0.0960543141
C    2.2950331704  -0.1014187162   1.2591597693
C   -1.7224971421  -1.6046907347  -0.5075336924
C    3.0885608379   0.8119483001   0.3335413699
C    2.8129008601   2.2835967488   0.6028667106
C   -1.6288941016   0.7674854932  -1.3080182967
C   -1.5308427969   2.0846252963  -0.7009483616
C   -1.5939999080   2.0533280145   0.6395099510
H    2.9236967907  -1.7187840344  -1.0940009313
H    2.2293586597  -3.1679579421  -0.4200037909
H    0.6819952480  -1.9559098680  -1.9486294799
H    0.7616236297  -0.5435652493  -0.9295889971
H    3.5421480393  -1.8545925073   1.2314038116
H    1.9050250247  -2.1493688442   1.7486906135
H   -0.2190295405  -1.9959700766   0.9716838751
H   -0.4312078220  -3.2638284555  -0.2079170052
H    2.5654960151   0.1244487046   2.2954858828
H    1.2304546432   0.1452940496   1.1779530859
H   -2.5278456388  -2.0812609028   0.0532696655
H   -1.9211792791  -1.7913586881  -1.5621762691
H    4.1575913964   0.6073547532   0.4481624623
H    2.8498003636   0.5926258228  -0.7109587563
H    3.0707683241   2.5573382157   1.6277996810
H    3.3851086156   2.9298542166  -0.0640418636
H    1.7550319477   2.5168133622   0.4580981808
H   -1.4078703751   2.9821090832  -1.2874102929
H   -1.5465185776   2.8870960432   1.3242870430
*