! 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    1.5354627263  -1.9960695257  -0.1204828414
O    1.8267313628  -2.9510484331  -1.1669698358
O    1.0935254770  -2.4689811464   1.1790001748
O    2.3616606747  -0.6841846194   3.4476781823
O    0.9753455673   0.4632219713   2.1158300593
O   -4.6799922141   2.6988787212  -1.5350103182
O    1.2901585050  -0.3725998956  -2.5757053745
N    0.3166087862  -0.9837629371  -0.6157039125
N   -0.7074464093   0.5315133201  -2.0454413405
N   -1.9656732194   0.1926341298  -0.1266518365
N   -2.6832284961   1.6361357662  -1.8417493556
N   -4.0200371711   1.3447371616   0.0833330288
N   -3.2741325397  -0.0563114626   1.7289195545
C    2.9508953521  -0.9568705687   0.1093463584
C    3.0914642170  -0.2189099089   1.2844626105
C    3.9413489646  -0.9601235278  -0.8603074735
C    4.2488809995   0.5216311835   1.4728491017
C    5.0833919688  -0.1984134498  -0.6657987830
C    5.2357473256   0.5385762932   0.4969009422
C    2.0110240228  -0.1197622009   2.3125771240
C    0.3682062781  -0.2899122819  -1.7921122107
C   -1.8276909948   0.7871595868  -1.2943122337
C   -3.0871887870   0.5056770223   0.5422086854
C   -3.7581179896   1.8656907748  -1.0983215071
C   -4.5542916442   3.3053029935  -2.8313741619
C    1.4112049171  -0.6483317540   4.5185847152
C   -5.0004735290   2.3799375736  -3.9383839825
C   -2.3411736131  -0.9715745128   2.3427218271
H    3.8364249607  -1.5523355908  -1.7573228568
H   -0.4700425699  -0.7826707208   0.0246423950
H    4.3783041333   1.0997568763   2.3779080221
H    5.8543107510  -0.1907925739  -1.4232378188
H    6.1284443606   1.1280476897   0.6531993871
H   -5.2022683029   4.1784345327  -2.7801945490
H   -3.5344220009   3.6543526130  -2.9884962181
H   -4.1201253226   0.1805153224   2.2198615038
H    0.5000344155  -1.1828122298   4.2499551939
H    1.8883677859  -1.1499092521   5.3543115890
H    1.1666835938   0.3749516861   4.7995691475
H   -4.3527546321   1.5097221756  -4.0339763802
H   -6.0238646053   2.0384654575  -3.7826475999
H   -4.9713728358   2.9212182359  -4.8843307721
H   -2.2306822751  -1.8905813340   1.7669108570
H   -2.7247360175  -1.2341492439   3.3236635856
H   -1.3608421647  -0.5166902954   2.4727759908
H   -0.6541993248   1.0287106470  -2.9248854683
*