! 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   -1.5170942723   1.6070317566  -0.0842270736
O   -3.4904623476  -1.4228597393  -1.1284230972
N   -1.8104916081   0.0908409644  -0.7823655545
C    1.6463562302  -0.1854442813   0.6826704087
C    0.4816946213  -1.1458235072   0.9164633626
C    2.8216085583  -0.7958182706  -0.0718594604
C   -0.1624240478  -1.7302489354  -0.3378581588
C    3.9782078934   0.1756965446  -0.2998924747
C   -0.7257670226  -0.7158789271  -1.3224051275
C    4.6535987382   0.7085783218   0.9619321195
C    5.2708901034  -0.3751387720   1.8343919195
C   -3.1081169554  -0.3367053849  -0.6958785912
C   -3.8979352690   0.6920018772  -0.0407141053
C   -3.1702793720   1.7589050798   0.3282965064
H    1.9811164880   0.1714783530   1.6604978091
H    1.3077602231   0.7095718377   0.1486392340
H   -0.2788923085  -0.6417290755   1.5193096801
H    0.8338207469  -1.9803623418   1.5296039492
H    2.4862666784  -1.1508500635  -1.0505516195
H    3.1726891308  -1.6852737381   0.4613341586
H   -0.9600231629  -2.4162146388  -0.0438667646
H    0.5620171180  -2.3358300792  -0.8880828998
H    3.6137204184   1.0224358058  -0.8901526196
H    4.7342876115  -0.3185178386  -0.9179549074
H   -1.1156439409  -1.2305697191  -2.2004540713
H    0.0484983677  -0.0407347029  -1.6888217303
H    5.4353490699   1.4112086313   0.6607878654
H    3.9440194051   1.2933966243   1.5536685189
H    4.5181736274  -1.0451424753   2.2522609101
H    5.9759712467  -0.9863059077   1.2667906473
H    5.8162799129   0.0585601596   2.6736649205
H   -4.9591542337   0.5891119383   0.1247585004
H   -3.5135292216   2.6520924608   0.8288968409
*