! 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    2.1434914185   0.7811324536   1.7357537838
S    2.3223605408  -0.6741415970  -0.7732846088
O    2.2551587260   2.1817270124   2.0917047877
O    0.8367230663   0.1547314774   1.7150292931
O    2.3188424146  -1.8790142282   0.0230013673
O    3.1366618753  -0.5900349423  -1.9586848971
O    1.0595439443   1.5899680023  -2.1789012084
O   -5.3638393155   0.8166482248  -0.1424843559
O   -2.4083054599  -2.5972685263   0.9367544362
N    2.7640455545   0.6385329182   0.1685548522
N    0.7382682863  -0.4126668259  -1.1426649016
N   -1.0384610411   1.0154044653  -1.5771967434
N   -3.1995116300   0.9188140198  -0.8721828897
N   -1.7106678792  -0.8296495923  -0.3341714033
C    3.9269152471   1.4399025179  -0.2377363799
C    3.2517986629  -0.1565772300   2.7415938878
C    0.3104060517   0.7861584741  -1.6668739085
C   -2.0209569765   0.3268712204  -0.8923062462
C   -4.1567686866   0.2820801505  -0.2105664377
C   -2.6757425167  -1.4492707369   0.3391105599
C   -3.9556505564  -0.9324375308   0.4349890219
C   -5.6023543414   2.0763071928  -0.7676779234
C   -1.0734074400  -3.1005747439   0.8971177326
H    4.8448172561   0.8574924144  -0.2234872673
H    4.0327503445   2.2692759498   0.4542064575
H    3.7619951926   1.8610563896  -1.2242367025
H    2.9244064996  -0.0536766478   3.7752247459
H    3.2208805244  -1.2016172481   2.4451975137
H    4.2597768559   0.2400557170   2.6351616734
H   -1.3369246135   1.8906889491  -1.9880469532
H   -4.7412615749  -1.4341013535   0.9804756816
H   -4.9669110030   2.8586727168  -0.3538965785
H   -5.4567881794   2.0246220037  -1.8462188802
H   -6.6419589582   2.3128042701  -0.5581615881
H   -0.3742270517  -2.4147653527   1.3760778920
H   -1.0934867785  -4.0304186776   1.4583437582
H   -0.7513012006  -3.3115984323  -0.1226914336
H    0.0269497355  -0.9656762412  -0.6330777890
*