%chk=000074968.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074968

0 1
 O   -3.367100      3.9999999E-04 -0.6923000    
 O    3.531200       1.098200     -0.2446000    
 O    3.532100      -1.097000     -0.2448000    
 N    2.928500      3.0000001E-04 -0.1657000    
 N   -4.728000      6.9999998E-04 -0.4314000    
 C   -1.245200     -6.0000003E-04  0.3818000    
 C   -2.723800     -3.0000001E-04  0.5763000    
 C  -0.5538000       1.207500      0.2915000    
 C  -0.5535000      -1.208500      0.2908000    
 C    1.520800     -1.9999999E-04  1.8999999E-02
 C   0.8292000       1.207700      0.1099000    
 C   0.8295000      -1.208200      0.1094000    
 H   -3.022700     -0.8859000       1.154300    
 H   -3.022400      0.8848000       1.155200    
 H   -1.081800       2.155000      0.3590000    
 H   -1.081400      -2.156200      0.3577000    
 H    1.334500       2.167700      4.3400001E-02
 H    1.335200      -2.168200      4.2399999E-02
 H   -5.051800     -0.8156000     -0.9479000    
 H   -5.051400      0.8177000     -0.9470000    


%chk=000074968-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074968

0 1
O -3.354006 0.000077 -0.703709
O 3.598375 1.142142 -0.296984
O 3.598606 -1.141550 -0.297776
N 2.996998 0.000205 -0.208807
N -4.840910 0.001746 -0.525865
C -1.247306 -0.000429 0.447261
C -2.747260 -0.000607 0.654416
C -0.537184 1.223106 0.335050
C -0.536957 -1.223745 0.334049
C 1.527623 -0.000008 0.014397
C 0.853777 1.236634 0.118287
C 0.854013 -1.236862 0.117243
H -3.087200 -0.899894 1.203500
H -3.087557 0.897896 1.204431
H -1.081620 2.170801 0.413871
H -1.081183 -2.171622 0.412163
H 1.422210 2.166070 0.029697
H 1.422616 -2.166115 0.027900
H -5.158078 -0.845024 -1.029033
H -5.156856 0.846478 -1.033090


