%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**

-1 1
O       0.670  -2.180  -0.187  
O       2.557   1.437  -0.477  
O       2.836  -0.609   0.474  
N      -3.568   0.082   0.004  
C       0.631   0.208   0.033  
C      -0.030  -1.015  -0.082  
C      -2.158   0.124   0.014  
C      -1.424  -1.057  -0.092  
C      -0.103   1.390   0.138  
C      -1.497   1.348   0.128  
C       2.086   0.273   0.046  
H       0.221  -3.013  -0.265  
H      -4.104   0.946   0.081  
H      -3.876  -0.556   0.738  
H      -1.946  -2.025  -0.182  
H       0.419   2.357   0.229  
H      -2.078   2.282   0.212