! 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   -3.3136737663  -0.3892781892   0.5964602900
O   -0.7925924954   1.2659939050  -1.6641667311
N   -2.0770943343  -0.2832757240  -0.5608570249
C    1.5191444846  -1.0278383982  -0.0160927502
C    0.3393943026  -1.4841494743   0.8337066865
C    2.6030312025  -0.3329277421   0.7990903990
C   -0.7203632892  -2.2691559162   0.0697530760
C    3.7484417793   0.1880987553  -0.0595232954
C   -1.4306406982  -1.4956654970  -1.0339359588
C    4.8469553141   0.8738240041   0.7424485068
C    5.9738150359   1.4011109914  -0.1332164581
C   -1.6830862373   0.9947751048  -0.8615581752
C   -2.4958597266   1.9266441588  -0.0958785971
C   -3.3845956355   1.3180440927   0.7045823687
H    1.1765999208  -0.3460952129  -0.7995541881
H    1.9511421078  -1.8936771778  -0.5297460967
H   -0.1169501626  -0.6172168207   1.3232917338
H    0.7087793700  -2.1201799478   1.6432870827
H    2.9958130113  -1.0261640291   1.5508248909
H    2.1605931408   0.5004551569   1.3556639232
H   -1.4615562141  -2.6599254567   0.7731297963
H   -0.2659439714  -3.1460790475  -0.3989769375
H    3.3518373730   0.8904799463  -0.8008084200
H    4.1814262714  -0.6412518014  -0.6293199239
H   -2.1770485733  -2.1328103179  -1.5115726616
H   -0.7362004421  -1.1890955854  -1.8138308261
H    4.4152732949   1.6988736024   1.3170687289
H    5.2528479609   0.1715916331   1.4768297479
H    6.7512180410   1.8843807050   0.4598186570
H    6.4455598799   0.5958504816  -0.6992843520
H    5.6057579107   2.1351807512  -0.8524058990
H   -2.3766591218   2.9959051341  -0.1789353887
H   -4.1018431929   1.7789818405   1.3672074748
*