%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
N       0.000   1.179  -0.000  
N      -4.803   1.279   0.000  
N       4.803   1.279   0.000  
C      -1.215  -0.898  -0.000  
C       1.215  -0.899  -0.000  
C      -1.167   0.506  -0.000  
C       1.167   0.506  -0.000  
C       0.000  -1.592  -0.000  
C      -2.450  -1.569   0.000  
C       2.450  -1.569   0.000  
C      -2.373   1.202  -0.000  
C       2.373   1.202  -0.000  
C      -3.603   0.538   0.000  
C       3.602   0.538  -0.000  
C      -3.641  -0.850   0.000  
C       3.642  -0.850   0.000  
H       0.000  -2.681  -0.000  
H      -2.490  -2.657   0.000  
H       2.490  -2.656   0.000  
H      -2.355   2.291  -0.000  
H       2.355   2.291   0.000  
H      -4.588  -1.383   0.000  
H       4.589  -1.383   0.000  
H      -4.774   2.290  -0.000  
H      -5.693   0.800  -0.000  
H       4.774   2.290  -0.001  
H       5.693   0.799  -0.001