! 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   -1.7544201871  -1.8380834801   0.2086934021
S   -3.3943829810   2.0740116687  -0.3494785668
O   -2.4513428610  -2.6430727451   1.1888334577
O   -1.4971548928  -2.3888540430  -1.1046407618
O   -0.8596158926   2.4159497929  -1.5085122327
O   -1.0382991247  -0.3675710577   2.6573531829
O   -0.1431957543   0.2940408561  -1.5238810325
O    3.3965398685  -1.4303824398  -1.6696709145
N   -0.2588376297  -1.4203160433   0.8027644384
N    1.0913831397   0.0319638572   2.0249680174
N    3.0899289872   0.9716553556   1.4584332622
N    2.2238692827  -0.7953271608   0.1741855754
N    4.2415070026   0.2300004343  -0.4550697866
C   -2.6369684633  -0.3099864580   0.0942204909
C   -2.2161401784   0.8456695162  -0.5225633409
C   -3.9106922110  -0.1949651430   0.6934314347
C   -4.4378092958   1.0485280098   0.5129496617
C   -0.1333085745  -0.5845053399   1.8821754389
C   -0.9629909451   1.1289868316  -1.2359031766
C    2.1702319626   0.0643393916   1.1799738050
C    4.1152376296   1.0100363711   0.6098233470
C    3.2684027305  -0.6520136068  -0.6233612608
C    5.1665982268   2.0288876476   0.8543299918
C    0.3200832607   2.8528472387  -2.1917156054
C    2.4013556825  -2.4247499569  -1.9245126147
H   -4.4149864861  -0.9825825303   1.2308233232
H    0.5396029108  -1.4809313427   0.1574376891
H   -5.3948193965   1.4057564853   0.8609217977
H    6.1096284925   1.7444162039   0.3953468339
H    4.8536030225   2.9781805347   0.4134862853
H    5.3115805261   2.1974519265   1.9188911471
H    0.2108468369   3.9255776302  -2.3125007224
H    1.2125569695   2.6447849468  -1.6025953240
H    0.4071898042   2.3825448792  -3.1698062542
H    1.4341111123  -1.9721855211  -2.1403779644
H    2.3108432003  -3.1210120780  -1.0919109870
H    2.7437492971  -2.9621955841  -2.8034593520
H    1.1391943637   0.6743763034   2.8062554654
*