%NProcShared=48
%Mem=54Gb
%Chk=mol
#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test

NEW-compound opt 6-31G**

0 1
S          2.138   0.000   0.104  
O          2.583   1.260   0.683  
O          2.586  -1.260   0.681  
N          2.507   0.000  -1.564  
N         -3.806  -0.001  -0.044  
C          0.393   0.000   0.058  
C         -0.304   1.208   0.040  
C         -0.304  -1.208   0.041  
C         -2.396  -0.000  -0.012  
C         -1.699   1.208   0.005  
C         -1.699  -1.208   0.006  
H          0.218   2.161   0.047  
H          0.219  -2.160   0.049  
H         -2.231   2.156  -0.009  
H         -2.230  -2.156  -0.008  
H          2.898   0.861  -1.966  
H          2.898  -0.861  -1.966  
H         -4.312   0.875  -0.062  
H         -4.312  -0.876  -0.061