%chk=000050276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050276

0 1
 O  -0.3293000      -1.174400     -7.2700001E-02
 O    4.033300      0.4125000      -1.005000    
 O   0.7142000      -3.059300      0.6941000    
 N   -5.110100     -0.3616000     -0.2095000    
 N    1.913300      -1.241700     -0.1657000    
 C   -6.345000      -1.083600     -0.5391000    
 C   -5.271000      0.6521000      0.8417000    
 C   -7.496700     -0.2191000      -1.061400    
 C   -5.937400       1.922900      0.3154000    
 C   -8.161400      0.6121000      2.8200001E-02
 C   -7.461900       1.928200      0.3414000    
 C   -4.072600      -1.324300      0.1780000    
 C   -2.688000     -0.7611000     -0.1257000    
 C   -1.589600      -1.748000      0.2460000    
 C    4.204300       3.980500      0.1743000    
 C    3.678400       2.739100     -0.5428000    
 C   0.7791000      -1.939600      0.2015000    
 C    3.265600       5.171700     -1.5000000E-02
 C    4.586100       1.536900     -0.3245000    
 C    3.261300      -1.653600     -5.9000000E-02
 C    4.295800     -0.8183000     -0.4810000    
 C    3.768500       6.400500      0.7256000    
 C    3.552200      -2.909100      0.4744000    
 C    5.621100      -1.238800     -0.3693000    
 C    4.877700      -3.329500      0.5859000    
 C    5.912100      -2.494400      0.1640000    
 H   -6.688400      -1.674700      0.3206000    
 H   -6.120100      -1.800900      -1.339900    
 H   -4.289200      0.9676000       1.212100    
 H   -5.804300      0.2531000       1.714100    
 H   -7.168100      0.4118000      -1.896000    
 H   -8.254200     -0.8998000      -1.471300    
 H   -5.591400       2.776700      0.9129000    
 H   -5.588100       2.127300     -0.7056000    
 H   -9.189300      0.8438000     -0.2787000    
 H   -8.253000      1.6899999E-02  0.9454000    
 H   -7.800500       2.263300       1.330200    
 H   -7.809300       2.694900     -0.3631000    
 H   -4.172100      -2.250400     -0.4040000    
 H   -4.164000      -1.612100       1.233500    
 H   -2.498600      0.1781000      0.4059000    
 H   -2.603600     -0.5170000      -1.193100    
 H   -1.630000      -1.966100       1.319700    
 H   -1.716900      -2.681000     -0.3154000    
 H    5.201300       4.232000     -0.2073000    
 H    4.312600       3.767200       1.244800    
 H    2.668000       2.496600     -0.1899000    
 H    3.581700       2.933000      -1.618300    
 H    3.172200       5.406000      -1.081800    
 H    2.263600       4.918500      0.3505000    
 H    4.676000       1.334300      0.7506000    
 H    5.584500       1.738900     -0.7287000    
 H    1.767000     -0.3163000     -0.5617000    
 H    3.840200       6.208700       1.801000    
 H    4.757100       6.699600      0.3631000    
 H    3.083000       7.240500      0.5754000    
 H    2.809600      -3.612700      0.8228000    
 H    6.437700     -0.6035000     -0.7016000    
 H    5.105600      -4.307200       1.000600    
 H    6.943800      -2.822700      0.2490000    


%chk=000050276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050276

0 1
O -0.441626 -1.280126 0.137523
O 3.615693 0.570765 0.090537
O 0.618845 -3.384742 0.216994
N -5.317905 -0.522586 -0.220349
N 1.816088 -1.338046 0.141322
C -6.546831 -1.177034 -0.736087
C -5.555908 0.388711 0.934758
C -7.654055 -0.213325 -1.222749
C -6.159836 1.749436 0.511205
C -8.402851 0.524592 -0.084728
C -7.709871 1.813935 0.430791
C -4.245512 -1.517799 0.045678
C -2.829146 -0.900580 -0.005955
C -1.754685 -1.975617 0.168025
C 4.610024 4.256073 0.037378
C 3.721608 2.990300 0.052827
C 0.684403 -2.129119 0.170806
C 3.784559 5.563389 0.030154
C 4.554446 1.706969 0.065701
C 3.164944 -1.768632 0.145602
C 4.150963 -0.733491 0.116537
C 4.668753 6.828706 0.017836
C 3.579877 -3.119857 0.173367
C 5.523963 -1.047926 0.114485
C 4.959974 -3.430204 0.171275
C 5.928369 -2.404977 0.141906
H -7.001949 -1.858993 0.033146
H -6.238125 -1.815271 -1.586926
H -4.575621 0.578438 1.407039
H -6.195348 -0.098651 1.715847
H -7.223529 0.508001 -1.944152
H -8.384857 -0.829476 -1.784258
H -5.818063 2.531553 1.218496
H -5.713368 1.994533 -0.470538
H -9.424743 0.789298 -0.421298
H -8.535707 -0.188866 0.754734
H -8.123336 2.054237 1.431000
H -7.983621 2.663508 -0.226461
H -4.314688 -2.298494 -0.737111
H -4.391937 -2.041715 1.026414
H -2.701298 -0.137290 0.783940
H -2.698445 -0.391552 -0.977462
H -1.849946 -2.511031 1.132055
H -1.779378 -2.725804 -0.644385
H 5.270890 4.239131 -0.854421
H 5.279163 4.254208 0.923190
H 3.065308 3.001951 0.944376
H 3.060787 2.982500 -0.835351
H 3.116688 5.566818 -0.854987
H 3.122616 5.580064 0.919624
H 5.205654 1.663000 0.963446
H 5.192127 1.635636 -0.839957
H 1.674966 -0.323911 0.109053
H 5.323681 6.863920 0.908883
H 5.318766 6.850138 -0.877228
H 4.056510 7.748902 0.012368
H 2.820719 -3.904518 0.196641
H 6.277080 -0.254922 0.092326
H 5.271789 -4.479715 0.192618
H 6.995732 -2.649941 0.140106


