%chk=000052982.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052982

0 1
 O    2.247700      -1.022900      0.4726000    
 O    2.132800      0.3366000      -1.417500    
 N   -4.838000      0.5509000      0.4792000    
 N    5.827000       1.989600     -0.1743000    
 C   -2.521700      7.6899998E-02 -7.3100001E-02
 C   -3.947000       1.528400       1.135400    
 C   -3.972300     -0.5079000     -0.1077000    
 C   -2.615400      0.8066000       1.279900    
 C   -2.268700       1.152200      -1.178800    
 C   -3.759900       2.726700      0.1909000    
 C   -3.276500       2.311000      -1.201500    
 C   -1.374000     -0.9389000     -4.9800001E-02
 C   -4.508500     -0.9139000      -1.481400    
 C   -5.816400     -4.6000001E-03   1.410600    
 C  -6.8700001E-02 -0.5138000      0.2033000    
 C   -1.632000      -2.291100     -0.2811000    
 C   0.9756000      -1.438400      0.2250000    
 C  -0.5879000      -3.215600     -0.2593000    
 C   0.7159000      -2.789300     -6.2000002E-03
 C    2.738700     -9.3599997E-02 -0.4476000    
 C    4.127500      0.3104000     -0.1120000    
 C    4.958100     -0.5700000      0.5384000    
 C    4.575600       1.558900     -0.4508000    
 C    6.253000     -0.1632000      0.8402000    
 C    6.635200       1.115000      0.4657000    
 H   -4.319200       1.884600       2.102800    
 H   -4.010900      -1.388200      0.5493000    
 H   -1.784200       1.496700       1.464300    
 H   -2.647200      9.5100001E-02   2.116600    
 H   -2.236100      0.6805000      -2.169100    
 H   -1.277400       1.602000      -1.036700    
 H   -3.027900       3.416400      0.6301000    
 H   -4.698300       3.286800      9.5399998E-02
 H   -4.145300       2.027700      -1.805600    
 H   -2.837400       3.174700      -1.715100    
 H   -3.821900      -1.582100      -2.007800    
 H   -5.464300      -1.439300      -1.375700    
 H   -4.688500     -5.6600001E-02  -2.135300    
 H   -5.343700     -0.4979000       2.267600    
 H   -6.461400     -0.7311000      0.9048000    
 H   -6.471300      0.7879000       1.789200    
 H   0.1400000      0.5328000      0.4088000    
 H   -2.622900      -2.680200     -0.4795000    
 H  -0.7892000      -4.267800     -0.4386000    
 H    1.525300      -3.514100      9.6000005E-03
 H    4.646000      -1.572400      0.8141000    
 H    3.950100       2.283300     -0.9615000    
 H    6.942500     -0.8266000       1.349800    
 H    7.634900       1.480000      0.6771000    


%chk=000052982-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052982

0 1
O 2.358091 -0.869631 0.069118
O 2.091739 1.469484 0.232309
N -4.894944 0.544286 0.536264
N 6.312423 1.876510 0.456941
C -2.607791 0.085293 -0.140005
C -3.998156 1.663273 0.993100
C -4.034218 -0.563065 -0.006114
C -2.612201 0.993428 1.133645
C -2.494672 1.026563 -1.391227
C -3.922503 2.763412 -0.095995
C -3.601597 2.115798 -1.467243
C -1.440964 -0.913106 -0.122666
C -4.647395 -1.183931 -1.276730
C -5.916294 0.100490 1.497544
C -0.119374 -0.389575 -0.040697
C -1.607472 -2.320590 -0.167757
C 0.983106 -1.267449 -0.009973
C -0.488514 -3.185964 -0.138211
C 0.817745 -2.669034 -0.061500
C 2.821585 0.452147 0.186348
C 4.311407 0.474002 0.249793
C 5.112793 -0.694061 0.179074
C 4.959352 1.731704 0.388056
C 6.514391 -0.557782 0.249104
C 7.067504 0.737432 0.387063
H -4.366198 2.082098 1.948594
H -3.950262 -1.366122 0.770078
H -1.779323 1.717650 1.146724
H -2.549625 0.372630 2.047491
H -2.507373 0.417485 -2.316154
H -1.500504 1.512818 -1.355352
H -3.146546 3.501755 0.191748
H -4.886756 3.301978 -0.160429
H -4.536094 1.661083 -1.840395
H -3.302362 2.889804 -2.200236
H -4.015524 -1.989603 -1.692028
H -5.639540 -1.615593 -1.049281
H -4.790970 -0.420894 -2.058589
H -5.495116 -0.364582 2.425947
H -6.577458 -0.647427 1.021556
H -6.549082 0.954719 1.796875
H 0.048990 0.686026 0.012473
H -2.607558 -2.757524 -0.220790
H -0.638226 -4.270413 -0.175247
H 1.697597 -3.318413 -0.037584
H 4.637143 -1.672089 0.072047
H 4.360579 2.646900 0.444395
H 7.169744 -1.432457 0.198095
H 8.152225 0.882741 0.444522


