! 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   -2.1147035631   0.8093382249   1.0711830460
O   -2.7915867061  -0.4018163389  -2.4313371019
N   -2.2137335071  -0.2914599273  -0.2136630414
C    2.1320605832  -1.1374884121  -0.8398430878
C    0.6202840870  -0.9794265148  -0.9726568792
C    2.7319851384  -0.4584878345   0.3866237580
C   -0.1624127125  -1.6469113701   0.1502933041
C    4.2526735804  -0.5597424486   0.4209923645
C   -1.6685724545  -1.6300289991  -0.0613900837
C    4.8954456179   0.0306787286   1.6724868111
C    4.7033590765   1.5338502930   1.8173272895
C   -2.6877777328   0.2376765327  -1.3862462290
C   -3.0341376167   1.6317696395  -1.1624336558
C   -2.7745528551   2.0456535119   0.0874706963
H    2.6062960672  -0.7272070385  -1.7367185189
H    2.3851936087  -2.2032482733  -0.8255417324
H    0.3007491353  -1.4046791067  -1.9288568150
H    0.3749066649   0.0868997898  -1.0163744048
H    2.3278625480  -0.9039962626   1.3014954074
H    2.4221579414   0.5914873159   0.3976366831
H    0.0775859674  -1.1889225077   1.1142701050
H    0.1346273155  -2.6958964967   0.2363981223
H    4.6689788475  -0.0679153881  -0.4651984719
H    4.5366500883  -1.6139232676   0.3414876768
H   -2.1759343400  -2.1283710730   0.7660987937
H   -1.9343514541  -2.1735192529  -0.9669780203
H    4.4982836322  -0.4762625351   2.5574735180
H    5.9661131083  -0.1897314259   1.6555397161
H    3.6540932559   1.8057347897   1.9396565390
H    5.2380811088   1.9181304014   2.6871567384
H    5.0798151307   2.0654368289   0.9406680895
H   -3.4497468278   2.2540643830  -1.9402654174
H   -2.9368145496   3.0280102347   0.5062253102
*