%chk=000053044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053044

0 1
 O   -3.238700      0.4140000      9.0899996E-02
 O   -2.349100      -1.699600     -3.8800001E-02
 N   -1.018800      0.1652000      0.3307000    
 C    1.240900      0.2016000       1.373200    
 C   0.9187000     -0.6597000     -0.9776000    
 C    2.204500       1.477900     -0.5817000    
 C    3.205500     -0.7350000      9.1899998E-02
 C   0.2584000     -0.5008000      0.4099000    
 C    1.559700       1.600800      0.8110000    
 C    2.553900     -0.5997000       1.478400    
 C    1.238900      0.7432000      -1.529600    
 C    2.233700      -1.455600     -0.8577000    
 C    3.506800      0.6678000     -0.4634000    
 C   -2.213900     -0.4899000      0.1130000    
 C   -4.545600     -0.1291000     -0.1275000    
 C   -5.555300      0.9987000     -0.1228000    
 H   0.7889000      0.3030000       2.366900    
 H   0.2394000      -1.175100      -1.666900    
 H    2.425500       2.475500     -0.9773000    
 H    4.135800      -1.307900      0.1743000    
 H   6.4099997E-02  -1.507500      0.8045000    
 H   0.6652000       2.230300      0.7600000    
 H    2.251400       2.117100       1.489300    
 H    3.243400     -0.1002000       2.170100    
 H    2.349600      -1.593900       1.894100    
 H   0.3219000       1.329400      -1.661400    
 H    1.693800      0.6538000      -2.524300    
 H    2.692800      -1.571900      -1.847100    
 H    2.023800      -2.464800     -0.4828000    
 H    3.988400      0.5865000      -1.445600    
 H    4.213500       1.187700      0.1952000    
 H   -1.058000       1.176700      0.3980000    
 H   -4.569800     -0.6437000      -1.094600    
 H   -4.782600     -0.8416000      0.6704000    
 H   -6.567300      0.6184000     -0.2874000    
 H   -5.529800       1.534700      0.8317000    
 H   -5.320600       1.729300     -0.9039000    


%chk=000053044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053044

0 1
O -3.278040 0.428290 0.147595
O -2.319963 -1.718032 -0.111361
N -1.034447 0.178215 0.420523
C 1.265689 0.236802 1.381691
C 0.907908 -0.627424 -0.982355
C 2.251979 1.494774 -0.595736
C 3.212361 -0.757357 0.080109
C 0.273743 -0.502717 0.438751
C 1.616297 1.642507 0.814574
C 2.568306 -0.604306 1.485362
C 1.246849 0.780020 -1.541767
C 2.207857 -1.469002 -0.867106
C 3.550763 0.649507 -0.486575
C -2.199831 -0.487283 0.130036
C -4.613608 -0.166115 -0.129575
C -5.607714 0.991504 -0.163603
H 0.802966 0.336001 2.383665
H 0.184202 -1.140325 -1.643620
H 2.494136 2.497973 -0.998888
H 4.138661 -1.359533 0.161830
H 0.091449 -1.524205 0.825582
H 0.720519 2.296064 0.761219
H 2.325300 2.146209 1.501395
H 3.276732 -0.104663 2.176033
H 2.343304 -1.602026 1.912500
H 0.323758 1.384034 -1.649677
H 1.684711 0.682168 -2.555045
H 2.657867 -1.598683 -1.871548
H 1.972504 -2.482057 -0.483280
H 4.022735 0.551949 -1.484810
H 4.281846 1.159218 0.173257
H -1.091297 1.184739 0.578069
H -4.568616 -0.710581 -1.090358
H -4.848349 -0.896451 0.666611
H -6.624673 0.607635 -0.364563
H -5.622631 1.526969 0.801395
H -5.344273 1.711782 -0.957231


