%chk=000052692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052692

0 1
 O    2.133800      2.6900001E-02 -1.0600000E-02
 N    1.044600      0.8728000     -0.2600000    
 C   -2.214300     -0.1362000      0.6970000    
 C   -1.448100      0.7307000     -0.3435000    
 C   -1.627400      -1.461600      0.1299000    
 C   -1.856600      0.1152000      -1.703100    
 C   -2.000300      -1.388700      -1.373500    
 C  -9.3500003E-02  -1.273800      0.2316000    
 C  -4.0199999E-02  0.1897000     -0.1296000    
 C   -1.841800      0.1448000       2.167400    
 C   -3.750700     -5.0400000E-02  0.6105000    
 C   -1.593600       2.230900     -0.2531000    
 C    3.325000      0.7857000     -0.1559000    
 C    4.499200     -5.0700001E-02  9.4200000E-02
 C    5.463900     -0.7353000      0.2987000    
 H   -1.978300      -2.375800      0.6148000    
 H   -1.096200      0.2733000      -2.477000    
 H   -2.802000      0.5231000      -2.076400    
 H   -3.027100      -1.727100      -1.547500    
 H   -1.343200      -2.004000      -1.997300    
 H   0.4557000      -1.892900     -0.4824000    
 H   0.2797000      -1.440300       1.245200    
 H   -2.221800     -0.6524000       2.816400    
 H  -0.7665000      0.2265000       2.347300    
 H   -2.283300       1.089300       2.505800    
 H   -4.104700      0.9256000      0.9616000    
 H   -4.153900     -0.1832000     -0.3958000    
 H   -4.210500     -0.8184000       1.243100    
 H   -1.225900       2.611200      0.7057000    
 H   -1.016700       2.728700      -1.040300    
 H   -2.638700       2.537300     -0.3620000    
 H    3.370700       1.194700      -1.172100    
 H    3.308500       1.622700      0.5520000    
 H    6.319600      -1.342800      0.4801000    


%chk=000052692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052692

0 1
O 2.243734 -0.034295 0.018628
N 1.053088 0.834418 -0.223033
C -2.261673 -0.156704 0.703747
C -1.428838 0.709400 -0.342120
C -1.736645 -1.528631 0.132613
C -1.888272 0.077135 -1.711452
C -2.113051 -1.441304 -1.378853
C -0.191757 -1.363898 0.220111
C -0.032072 0.116926 -0.115540
C -1.861566 0.108640 2.175973
C -3.793282 0.024436 0.592391
C -1.534792 2.231978 -0.272774
C 3.426070 0.855314 -0.103430
C 4.636991 0.050425 0.091182
C 5.674988 -0.594865 0.248443
H -2.120921 -2.426469 0.645075
H -1.127505 0.236648 -2.494972
H -2.818640 0.567232 -2.051703
H -3.159974 -1.744609 -1.554722
H -1.474556 -2.103579 -1.989877
H 0.363906 -2.006320 -0.486716
H 0.216363 -1.577298 1.224946
H -2.292424 -0.666062 2.838078
H -0.769661 0.122891 2.334040
H -2.254383 1.086478 2.511508
H -4.085705 1.048451 0.891181
H -4.185267 -0.153307 -0.422344
H -4.306417 -0.677358 1.276973
H -1.184222 2.616506 0.701609
H -0.911962 2.705109 -1.052468
H -2.580676 2.557143 -0.423117
H 3.425958 1.326878 -1.105208
H 3.361486 1.657126 0.657612
H 6.577077 -1.162934 0.385418


