! 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   -2.4679885892   0.7232183136  -0.8938087165
O    4.7241009681  -0.0685931406  -1.0941574627
O   -2.8486152485   0.5018885498  -2.2712288596
O   -3.0833514902   1.8001481073  -0.1420847001
O    1.2187444091   2.5876103515   0.0956514815
O   -0.1730701585  -0.8406733461  -1.8845442061
O   -1.3744822747   0.9532863440   2.0684802479
O   -3.3334030192   0.7016812644   3.1171810941
N    3.2179768570   1.4862560363  -0.3485188901
N    1.4077932783   0.5545892291  -1.0455087773
N   -0.8324715371   1.0667950525  -0.8413448556
N    2.4280299652  -0.2860391654  -1.4275171197
C   -2.6717443941  -0.7960321045  -0.0031738094
C    3.4804565064   0.3064362997  -0.9896632000
C   -2.7382977687  -0.8148091567   1.3924192894
C    1.8689132129   1.6678140283  -0.3684696609
C    0.0986199965   0.1819304389  -1.3082966025
C    5.0230944109  -1.3478330244  -1.7031936659
C   -2.8861154637  -1.9477084933  -0.7452546310
C    5.2971278632  -2.4005567348  -0.6536244898
C    4.1861004739   2.3867466821   0.2405311244
C   -3.0251960547  -2.0160126354   2.0255647390
C   -3.1443770745  -3.1432588914  -0.0928725817
C   -3.2126007089  -3.1767911042   1.2892174182
C   -2.5369438661   0.3727632300   2.2749589180
C    4.1153639542  -2.7384672151   0.2420079647
C   -1.0776836700   2.1273442599   2.8335754528
H   -0.5409662547   1.8878842143  -0.3083940476
H    5.9097884279  -1.1675166900  -2.3078490746
H    4.2113562718  -1.6419974248  -2.3687062499
H   -2.8641251005  -1.9246076161  -1.8244350839
H    5.6119196457  -3.2933019427  -1.1998639989
H    6.1548843183  -2.0964929808  -0.0490425924
H    4.7375121766   1.8891829972   1.0340656224
H    4.8771210031   2.7506920420  -0.5152792468
H    3.6558170603   3.2338367164   0.6638747864
H   -3.0892452066  -2.0500266799   3.1046433013
H   -3.3028887132  -4.0419800146  -0.6718921496
H   -3.4215310828  -4.1055570661   1.8013770276
H    3.2443810857  -3.0426828511  -0.3391646383
H    4.3710384501  -3.5622613733   0.9087474657
H    3.8212489186  -1.8989361995   0.8735632892
H   -0.0971470428   2.4556260655   2.5053090852
H   -1.0457413351   1.9045807095   3.8986888368
H   -1.8069290201   2.9138455678   2.6445442850
*