%chk=000041471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041471

0 1
 O    3.112300     -0.2169000      0.3431000    
 O   -3.000500     -0.4054000      0.5541000    
 N   -1.056500      0.1633000      5.6100000E-02
 N   -2.331800      0.2715000     -0.2332000    
 C    1.841200     -5.1899999E-02 -0.2726000    
 C    1.177300       1.223400      0.2365000    
 C   0.9715000      -1.260400      5.3900000E-02
 C  -0.2567000       1.351000     -0.2784000    
 C  -0.4566000      -1.074600     -0.4595000    
 H    1.999900      1.4600000E-02  -1.354800    
 H    1.767500       2.095200     -7.0699997E-02
 H    1.181600       1.235100       1.334700    
 H   0.9583000      -1.432400       1.138600    
 H    1.414200      -2.163600     -0.3833000    
 H  -0.7013000       2.246500      0.1758000    
 H  -0.2426000       1.514300      -1.365100    
 H  -0.4513000      -1.073400      -1.558600    
 H   -1.036100      -1.953000     -0.1443000    
 H    2.978700     -0.2646000       1.305100    


%chk=000041471-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041471

0 1
O 3.177643 -0.225005 0.348410
O -2.937996 -0.700124 0.610891
N -1.042324 0.210904 -0.205855
N -2.267665 0.383817 0.418805
C 1.834273 -0.056352 -0.229088
C 1.162929 1.252132 0.248793
C 0.927917 -1.275025 0.059665
C -0.231174 1.423927 -0.401835
C -0.470748 -1.100616 -0.580926
H 2.034188 0.007010 -1.315506
H 1.804245 2.114044 -0.009344
H 1.054086 1.227406 1.352295
H 0.814781 -1.395239 1.156462
H 1.402767 -2.192629 -0.331800
H -0.790885 2.266156 0.037988
H -0.113629 1.614137 -1.488178
H -0.398112 -1.156684 -1.685414
H -1.184744 -1.871477 -0.241352
H 3.093547 -0.307683 1.333389


