! 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   -1.8010661198   1.9902602355   0.0509621116
O   -4.0352443895  -1.2191150553  -0.4856305241
O   -2.7418682542   2.2096979008   1.1238822476
O   -1.2851860537   3.1227058067  -0.6863073476
O   -1.4379633951  -0.6211843339   1.4182014826
O    5.3330396464  -0.8917417954   2.0210836543
O    3.5501845584   2.9526785846   0.1320231580
N   -2.5244132918   0.9128337549  -0.9569350005
N   -0.4245195136   1.2390179415   0.5925372197
N    0.8170131290  -0.5001552526   1.4923275713
N    3.0686338349  -0.7068413199   1.7569676237
N    2.1743930875   1.2470496130   0.7831016232
C   -2.9733399525  -3.3114589378  -0.4495414650
C   -4.2365677154  -4.0901957009  -0.1562791964
C   -3.3993950156  -3.6299133365   0.9686593205
C   -3.1007544270  -1.9079579901  -0.8790175123
C   -2.0638552362  -1.3335718920  -1.7743685599
C   -1.7921073168   0.0490758883  -1.7886797578
C   -1.3448656917  -2.1606491378  -2.6380368211
C   -0.7976731949   0.5511354408  -2.6200664802
C   -0.3665045631  -1.6555938447  -3.4749905241
C   -0.0853331005  -0.2981747519  -3.4501347100
C   -0.4248976438   0.0038903302   1.1858852869
C    2.0731873287   0.0481127935   1.3313464558
C    4.2840807217  -0.1938725724   1.6213923621
C    3.3986175290   1.7512141040   0.6618697119
C    4.5239605257   1.0612581301   1.0741789375
C    5.1360705019  -2.1866411026   2.5837108410
C    2.3947872152   3.6691984832  -0.2981691071
H   -2.1310927024  -3.8751549029  -0.8220349104
H   -5.1770984490  -3.5868809370  -0.3382799020
H   -4.2208106878  -5.1379186566  -0.4237079528
H   -2.7880150173  -4.3515172492   1.4930033058
H   -3.7506959598  -2.8037734002   1.5721757114
H   -1.5624291752  -3.2189419945  -2.6744798748
H   -0.5915874330   1.6119959648  -2.6448743501
H   -3.3404529719   0.4643362699  -0.5357488302
H    0.1709256840  -2.3166936881  -4.1401781698
H    0.6805749050   0.1118629710  -4.0941505919
H    0.7990178014  -1.4143377930   1.9249579279
H    5.5193913100   1.4685247958   0.9766266582
H    4.6774252205  -2.8701827496   1.8700140203
H    4.5291051207  -2.1464487157   3.4873715768
H    6.1285914676  -2.5487235267   2.8366330829
H    1.8808880316   3.1520298338  -1.1088919287
H    2.7606985580   4.6225912191  -0.6681426620
H    1.7040470831   3.8536940286   0.5248081905
H    0.4918878448   1.6822872262   0.4249966975
*