%chk=000050817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050817

0 1
 O   0.1184000      0.4546000      0.1357000    
 O    1.148300       2.513200      0.1057000    
 N   -3.558300      0.6588000      0.3194000    
 N    6.013000      -1.638500     -0.2633000    
 C   -4.606400     -0.3189000      0.3388000    
 C   -4.553400      -1.210700     -0.9191000    
 C   -5.919000      0.2652000     -0.2240000    
 C   -6.086900      -1.059600     -0.9971000    
 C   -2.249800      8.3999997E-03  0.2746000    
 C   -1.157300       1.077100      0.2247000    
 C   -2.083000     -0.9187000       1.478900    
 C    1.189900       1.292800      8.3300002E-02
 C    2.455900      0.5227000     -8.9999996E-03
 C    3.529300       1.080700     -0.6726000    
 C    2.520400     -0.7269000      0.5730000    
 C    4.719000      0.3576000     -0.7583000    
 C    3.710200      -1.450000      0.4875000    
 C    4.809600     -0.9077000     -0.1782000    
 H   -4.759400     -0.8566000       1.281900    
 H   -4.195000      -2.232800     -0.7679000    
 H   -4.058400     -0.7875000      -1.802700    
 H   -5.808600       1.135800     -0.8827000    
 H   -6.697800      0.4795000      0.5131000    
 H   -6.508100     -0.9753000      -2.001900    
 H   -6.635200      -1.828700     -0.4411000    
 H   -3.597100       1.314900       1.098900    
 H   -2.126900     -0.5978000     -0.6308000    
 H   -1.303300       1.719200     -0.6533000    
 H   -1.190600       1.701600       1.126800    
 H   -2.743300      -1.790500       1.433900    
 H   -2.269900     -0.3915000       2.421600    
 H   -1.063100      -1.316100       1.527700    
 H    3.470100       2.063500      -1.130800    
 H    1.683800      -1.165600       1.108500    
 H    5.568600      0.7908000      -1.280100    
 H    3.769400      -2.433600      0.9464000    
 H    6.078300      -2.556700      0.1553000    
 H    6.809800      -1.246800     -0.7476000    


%chk=000050817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050817

0 1
O 0.126083 0.274040 -0.222508
O 1.105329 2.393908 -0.084670
N -3.573806 0.541282 0.181783
N 6.277056 -1.559257 -0.092074
C -4.716694 -0.380583 0.265865
C -4.916716 -1.374036 -0.932719
C -6.118530 0.235877 -0.056829
C -6.452996 -1.057091 -0.881450
C -2.228629 -0.063337 0.368629
C -1.218950 0.904153 -0.274044
C -1.862138 -0.387726 1.838558
C 1.230812 1.141790 -0.140865
C 2.514897 0.406751 -0.129491
C 3.722066 1.151866 -0.032158
C 2.591438 -1.010273 -0.215458
C 4.967546 0.509490 -0.018573
C 3.832555 -1.663974 -0.203464
C 5.044855 -0.914600 -0.104259
H -4.763431 -0.944584 1.228841
H -4.605822 -2.422497 -0.792588
H -4.445362 -0.963963 -1.843237
H -6.000159 1.115287 -0.714470
H -6.776042 0.490755 0.790795
H -6.969504 -0.918189 -1.844511
H -7.010743 -1.797503 -0.281611
H -3.706131 1.366982 0.785258
H -2.219854 -1.002306 -0.218407
H -1.481679 1.081385 -1.331320
H -1.181448 1.876251 0.253168
H -2.617404 -1.053556 2.294749
H -1.810141 0.540332 2.440681
H -0.878801 -0.886527 1.898092
H 3.654184 2.243137 0.031263
H 1.665223 -1.586367 -0.295006
H 5.889527 1.098684 0.056830
H 3.877564 -2.757821 -0.271143
H 6.337169 -2.571585 -0.154813
H 7.141877 -1.030294 -0.023643


