%chk=000013252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013252

0 1
 O    1.591300     -6.0000003E-04 -0.9656000    
 O    2.166600      2.3000001E-03   1.287100    
 N   -3.772700      3.9999999E-04  0.5165000    
 N    3.803300     -5.0000002E-04 -0.3571000    
 C   -1.737300       1.207900     -4.5899998E-02
 C   -1.737500      -1.208100     -4.5499999E-02
 C   -2.409600      9.9999997E-05  0.1400000    
 C   0.2793000     -3.9999999E-04 -0.6029000    
 C  -0.3928000       1.207600     -0.4175000    
 C  -0.3930000      -1.208200     -0.4169000    
 C   -2.430500       2.517800      0.1460000    
 C   -2.431100      -2.517600      0.1472000    
 C    2.504000     -3.0000001E-04  0.1069000    
 C    4.960100     -3.0000001E-04  0.5079000    
 H   0.1409000       2.143400     -0.5657000    
 H   0.1405000      -2.144200     -0.5646000    
 H   -2.793900       2.613900       1.174500    
 H   -1.759700       3.364000     -3.9500002E-02
 H   -3.270700       2.614100     -0.5496000    
 H   -3.271500      -2.613900     -0.5482000    
 H   -1.760600      -3.364000     -3.8100000E-02
 H   -2.794100      -2.613200       1.175900    
 H   -4.269600      0.8694000      0.6543000    
 H   -4.269900     -0.8685000      0.6547000    
 H    3.954700     -1.1000000E-03  -1.361100    
 H    5.555200     -0.8883000      0.2816000    
 H    4.670500     -6.2000002E-03   1.561300    
 H    5.548600      0.8942000      0.2898000    


%chk=000013252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013252

0 1
O 1.666596 -0.000512 -0.839781
O 2.389876 0.000051 1.430444
N -3.843704 0.000331 0.407702
N 3.885189 -0.000688 -0.389558
C -1.775843 1.242481 -0.026971
C -1.776085 -1.242434 -0.026344
C -2.472505 0.000127 0.120072
C 0.282381 -0.000289 -0.462844
C -0.395240 1.223105 -0.319343
C -0.395479 -1.223478 -0.318727
C -2.519397 2.555262 0.133341
C -2.519887 -2.554993 0.134642
C 2.642761 -0.000357 0.204025
C 5.121400 0.000090 0.393766
H 0.156988 2.162125 -0.433240
H 0.156567 -2.162662 -0.432155
H -2.962213 2.656855 1.145530
H -1.843333 3.413399 -0.013986
H -3.344785 2.655897 -0.601309
H -3.345371 -2.655799 -0.599878
H -1.844011 -3.413333 -0.012361
H -2.962621 -2.656033 1.146922
H -4.349193 0.871334 0.529733
H -4.349353 -0.870516 0.530190
H 3.912116 -0.000830 -1.409220
H 5.732848 -0.897364 0.184002
H 4.844676 -0.004389 1.460255
H 5.728122 0.902321 0.190592


