%chk=000050411.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050411

0 1
 O    4.154300     -0.4794000     -0.2253000    
 O    2.883700       1.245500      0.6025000    
 N   0.6693000     -0.4300000      0.4086000    
 N    1.951800     -0.8066000      4.9899999E-02
 C   -1.650600     -0.2149000     -0.3621000    
 C  -0.2306000     -0.5538000     -0.7300000    
 C   -2.497500      -1.217200      9.0000004E-02
 C   -2.093100       1.095300     -0.4806000    
 C   -3.813300     -0.9032000      0.4305000    
 C   -3.408900       1.409300     -0.1401000    
 C   -4.268900      0.4099000      0.3154000    
 C    2.984000      9.6600004E-02  0.1830000    
 C    5.319800      0.3485000     -0.1419000    
 H  -0.2007000      -1.573200      -1.138800    
 H   9.6600004E-02  0.1070000      -1.544000    
 H   -2.152200      -2.242900      0.1850000    
 H   -1.431200       1.881500     -0.8327000    
 H   0.3763000      -1.069000       1.147500    
 H   -4.482800      -1.681100      0.7856000    
 H   -3.763700       2.432000     -0.2291000    
 H   -5.293200      0.6546000      0.5808000    
 H    2.109100      -1.749500     -0.2910000    
 H    5.501100      0.6431000      0.8961000    
 H    5.204600       1.229400     -0.7804000    
 H    6.175200     -0.2326000     -0.4964000    


%chk=000050411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050411

0 1
O 4.185725 -0.339894 -0.099312
O 2.626669 1.430654 -0.005965
N 0.681845 -0.606680 0.612206
N 2.045371 -0.834458 0.416868
C -1.628938 -0.486730 -0.233700
C -0.238083 -1.070843 -0.448961
C -2.782486 -1.300669 -0.344721
C -1.780737 0.894218 0.056225
C -4.073003 -0.744286 -0.183178
C -3.068309 1.448947 0.222520
C -4.218747 0.632721 0.100635
C 2.898640 0.215158 0.096820
C 5.232674 0.646339 -0.429554
H -0.305163 -2.183161 -0.517815
H 0.181321 -0.711854 -1.408611
H -2.672885 -2.371182 -0.560148
H -0.881550 1.512674 0.154737
H 0.368680 -0.763135 1.575761
H -4.958944 -1.383025 -0.273728
H -3.176390 2.516783 0.444245
H -5.217421 1.065428 0.229002
H 2.444202 -1.781481 0.406017
H 5.352096 1.373994 0.391361
H 4.976820 1.188541 -1.355833
H 6.147716 0.051241 -0.562373


