! 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   -0.7732500547   1.2524137543   0.3248505987
O   -3.6620659900  -0.6077370837  -1.2072208114
N   -1.7796672145  -0.0624910525  -0.0280069418
C    1.6677514577  -1.4185024461   0.1452287215
C    0.6815469307  -1.6168873769  -0.9989988090
C    2.9755152655  -0.7872787135  -0.3136653321
C   -0.6559478053  -2.2204104636  -0.5845885240
C    4.0035894810  -0.6055037728   0.7995897567
C   -1.4541287641  -1.4070241381   0.4251097370
C    3.5668696318   0.3022677099   1.9478899279
C    3.2077775794   1.7151504102   1.5116427328
C   -2.8421575180   0.2325897192  -0.8394153077
C   -2.8160841802   1.6516605033  -1.1487353025
C   -1.7716522920   2.2910034704  -0.5965727025
H    1.8719223519  -2.3836123716   0.6221037889
H    1.2224175119  -0.7933123655   0.9254731926
H    1.1339857605  -2.2745818033  -1.7468667484
H    0.5183373984  -0.6635563383  -1.5115596934
H    2.7626316109   0.1769876676  -0.7867404632
H    3.4160971955  -1.4100572017  -1.0984628480
H   -0.4919943901  -3.2051905603  -0.1374940397
H   -1.2719825823  -2.3854679860  -1.4714842875
H    4.9238589300  -0.2020387058   0.3653781357
H    4.2669748060  -1.5877253668   1.2047181643
H   -0.9282584997  -1.3263716513   1.3768547381
H   -2.3962255967  -1.9085811266   0.6450313258
H    2.7199695529  -0.1409859804   2.4791268900
H    4.3793240447   0.3491503274   2.6778276881
H    3.0044543957   2.3547209156   2.3715575281
H    4.0207712641   2.1743497436   0.9450459583
H    2.3185756571   1.7358951373   0.8788546889
H   -3.5663244650   2.1229814123  -1.7646456910
H   -1.5179152335   3.3381610625  -0.6736194126
*