%chk=000004772.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004772

1 1
 O    3.421000      -1.847800       1.963800    
 N  -0.1235000      3.8600001E-02 -0.6955000    
 N   0.3795000       3.064600      0.1519000    
 N    2.299300       2.083900     -0.4031000    
 C   0.2725000       1.227300      -1.460000    
 C   -1.413300     -8.7600000E-02 -0.2616000    
 C   -2.469800      0.6222000      -1.079800    
 C   0.9901000       2.137100     -0.5614000    
 C   -3.908000      0.1164000     -0.8630000    
 C    1.379700       3.793100      0.9387000    
 C    2.703800       3.115800      0.5568000    
 C   -4.160200     -0.4817000      0.4984000    
 C   0.8806000     -0.9529000     -0.4957000    
 C   -1.769000     -0.7875000      0.8302000    
 C   -3.138700     -0.8832000       1.272300    
 C   -5.591100     -0.6230000      0.9201000    
 C    1.663400     -0.9100000      0.6491000    
 C    1.059600      -1.945600      -1.448600    
 C    2.646200      -1.880500      0.8454000    
 C    2.042400      -2.915700      -1.252400    
 C    2.835600      -2.883400     -0.1055000    
 H   0.9272000      0.9340000      -2.292000    
 H  -0.5454000       1.773800      -1.937200    
 H   -2.447900       1.691300     -0.8301000    
 H   -2.264700      0.5238000      -2.153400    
 H   -4.141200     -0.6464000      -1.617500    
 H   -4.596800      0.9518000      -1.039500    
 H    1.157100       3.684400       2.003700    
 H    1.365400       4.850200      0.6601000    
 H    3.396000       3.812200      7.5999998E-02
 H    3.185500       2.644800       1.418100    
 H  -0.6251000       3.192900      0.1109000    
 H    2.870800       1.411100     -0.9013000    
 H   -1.043300      -1.299700       1.453200    
 H   -3.311700      -1.325500       2.248100    
 H   -6.137900      -1.244500      0.2037000    
 H   -6.072100      0.3592000      0.9670000    
 H   -5.685500      -1.088700       1.906700    
 H    1.517700     -0.1341000       1.396300    
 H   0.4464000      -1.978800      -2.344900    
 H    2.189900      -3.696500      -1.992900    
 H    3.597900      -3.645000      3.5300002E-02
 H    4.046900      -2.591800       1.935300    


%chk=000004772-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004772

1 1
O 4.503913 -1.628840 0.227198
N 0.045452 -0.080582 -0.944931
N 0.383398 2.178899 0.829250
N 2.058389 2.992175 -0.378158
C 0.628544 1.158796 -1.462959
C -1.308080 -0.001166 -0.470620
C -2.341234 0.713485 -1.344842
C 1.031829 2.116327 -0.345046
C -3.742048 0.072769 -1.185657
C 1.012354 3.157778 1.765153
C 2.165077 3.773797 0.894060
C -4.119858 -0.176532 0.271970
C 0.932246 -1.154757 -0.581424
C -1.709157 -0.511318 0.747836
C -3.115160 -0.464650 1.162032
C -5.584866 -0.198546 0.629408
C 2.299712 -0.906364 -0.308800
C 0.445739 -2.491529 -0.557628
C 3.171921 -1.983795 -0.026425
C 1.328575 -3.546920 -0.263245
C 2.698311 -3.313841 0.003322
H 1.507177 0.939967 -2.093850
H -0.112189 1.680857 -2.098776
H -2.409205 1.786683 -1.059538
H -2.045995 0.671866 -2.409871
H -3.774885 -0.900921 -1.721575
H -4.493444 0.717585 -1.677636
H 1.394417 2.637260 2.658570
H 0.276617 3.914634 2.080169
H 2.013626 4.847538 0.696170
H 3.157575 3.629424 1.350091
H -0.395149 1.538242 1.055132
H 2.695633 3.105521 -1.166640
H -0.987950 -1.022193 1.397489
H -3.354595 -0.720253 2.200660
H -6.138442 -0.907899 -0.017988
H -6.053443 0.793052 0.471763
H -5.751486 -0.493245 1.679059
H 2.733959 0.097631 -0.292630
H -0.604042 -2.695255 -0.782705
H 0.949804 -4.574025 -0.256902
H 3.372896 -4.149516 0.222421
H 5.063366 -2.423538 0.411795


