%chk=000050775.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050775

0 1
 O  -0.6290000      -1.689200     -0.5977000    
 O  -0.8893000      -1.668600       1.689500    
 N    2.941200     -0.9103000      2.5500000E-02
 N   -5.566000       2.160600     -0.4322000    
 C    3.613100      0.3030000      0.4551000    
 C    5.127900      0.1480000      0.5161000    
 C    3.442600       1.452100     -0.5313000    
 C    5.636700       1.586900      0.5334000    
 C    4.550300       2.427800     -0.1428000    
 C    1.497000     -0.7186000     -3.0300001E-02
 C   0.7681000      -1.971300     -0.5226000    
 C    1.222100      -2.422400      -1.905000    
 C   -1.221900      -1.318300      0.5678000    
 C   -2.363300     -0.4059000      0.3046000    
 C   -3.433600     -0.4080000       1.175500    
 C   -2.317900      0.4171000     -0.8022000    
 C   -4.505300      0.4501000      0.9287000    
 C   -3.389500       1.275300      -1.048800    
 C   -4.483200       1.291700     -0.1833000    
 H    3.251800      0.6062000       1.447700    
 H    5.507900     -0.3639000     -0.3774000    
 H    5.459600     -0.4178000       1.392500    
 H    2.462000       1.934700     -0.4738000    
 H    3.596600       1.115500      -1.564700    
 H    6.599400       1.675500      1.9900000E-02
 H    5.781300       1.928400       1.564900    
 H    4.170700       3.177500      0.5611000    
 H    4.934600       2.962700      -1.017100    
 H    3.162800      -1.674000      0.6634000    
 H    1.139800     -0.4220000      0.9617000    
 H    1.229800      0.1004000     -0.7086000    
 H   0.9223000      -2.804200      0.1760000    
 H    2.273000      -2.725800      -1.912600    
 H    1.081200      -1.624000      -2.642100    
 H   0.6178000      -3.270900      -2.244700    
 H   -3.463600      -1.060700       2.042900    
 H   -1.472700      0.4340000      -1.483700    
 H   -5.352100      0.4534000       1.610300    
 H   -3.359100       1.929000      -1.916800    
 H   -5.551400       2.769400      -1.239600    
 H   -6.360400       2.171600      0.1936000    


%chk=000050775-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050775

0 1
O -0.636669 -0.699964 -0.794462
O -0.976249 -1.280585 1.447288
N 3.005051 -0.573254 0.170577
N -6.728894 1.247833 -0.258772
C 4.010077 0.454218 0.529640
C 5.354868 -0.183593 0.954135
C 4.428933 1.353449 -0.662515
C 6.394803 0.965701 0.823933
C 5.793791 1.963178 -0.229458
C 1.649805 -0.057769 -0.128455
C 0.773471 -1.196455 -0.697379
C 1.177564 -1.636554 -2.102521
C -1.417127 -0.789837 0.372003
C -2.782483 -0.256487 0.170313
C -3.688725 -0.274419 1.265707
C -3.222994 0.274873 -1.072736
C -4.993011 0.220748 1.131332
C -4.526338 0.772571 -1.219022
C -5.436204 0.754606 -0.117744
H 3.649178 1.116033 1.359634
H 5.579802 -1.001871 0.242539
H 5.324184 -0.617003 1.971278
H 3.683653 2.130598 -0.909469
H 4.545880 0.700285 -1.548931
H 7.382490 0.580633 0.513997
H 6.538330 1.472532 1.795936
H 5.648121 2.960037 0.226039
H 6.463421 2.102573 -1.096722
H 2.957724 -1.302111 0.898862
H 1.138744 0.376355 0.762607
H 1.734973 0.740933 -0.887869
H 0.777380 -2.045086 0.014817
H 2.251807 -1.890026 -2.096953
H 1.012907 -0.817685 -2.825588
H 0.595735 -2.515259 -2.429627
H -3.341967 -0.685260 2.219953
H -2.528614 0.289058 -1.917486
H -5.679975 0.200261 1.986079
H -4.853551 1.178687 -2.183987
H -7.048812 1.627153 -1.145418
H -7.379780 1.235903 0.521345


