! 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   -1.0082199778   1.1523515670  -1.1797767856
O   -3.2587184806  -1.0347705133   0.8941193475
N   -1.8348407569  -0.2476097793  -0.7120701487
C    0.9373959995  -1.0770686352   0.9579980323
C    0.7995620748  -1.7899261792  -0.3855973654
C    2.3092576133  -0.4453395703   1.1811225711
C   -0.5783730881  -2.4124958389  -0.6280450547
C    2.5577505060   0.8012735640   0.3376557899
C   -1.5727791662  -1.5224001914  -1.3608581324
C    3.8788845999   1.5030594398   0.6388238592
C    5.1121765941   0.6837280025   0.2840938858
C   -2.6118427352  -0.1086214300   0.4077489470
C   -2.5285038019   1.2674353654   0.8660997438
C   -1.7099778844   2.0232033611   0.1148137586
H    0.7458617880  -1.8079037761   1.7496342033
H    0.1698280770  -0.3052018115   1.0743562587
H    1.5532044545  -2.5814147846  -0.4210124226
H    1.0500064531  -1.1143702974  -1.2099080870
H    3.0827243237  -1.1960600742   0.9888024299
H    2.4082553714  -0.1751640278   2.2373573554
H   -1.0114650492  -2.7450010022   0.3189746151
H   -0.4769090316  -3.3094871081  -1.2432476703
H    1.7359551247   1.5038337057   0.5082410912
H    2.5214916718   0.5520452311  -0.7276833250
H   -2.5268577755  -2.0372614621  -1.4755594828
H   -1.2158550311  -1.3138734810  -2.3701804165
H    3.9096417016   2.4463456185   0.0869612806
H    3.9118617014   1.7730765602   1.6990773893
H    6.0266404780   1.2541398641   0.4537965734
H    5.1869006953  -0.2275137660   0.8789242553
H    5.1009334935   0.3894533453  -0.7675791991
H   -3.0746389647   1.6239200265   1.7262643595
H   -1.4767749546   3.0706980280   0.2384103996
*