%chk=000050707.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050707

0 1
 O   0.4908000      0.6656000      0.1598000    
 O    1.306600      -1.057400       1.450000    
 N   -4.126400       2.127100     -0.2955000    
 N   -1.598600      -3.362500      0.6746000    
 C   -1.808700       1.364300     -6.7900002E-02
 C  -0.8464000      0.3274000      0.5339000    
 C   -3.267900       1.119500      0.3175000    
 C   -1.111800      -1.090400      8.4100001E-02
 C   -3.772300       3.464600      0.1822000    
 C   -5.534700       1.843500     -1.4600000E-02
 C   -1.109800      -1.403300      -1.258400    
 C   -1.355300      -2.075600       1.009800    
 C    1.468000     -0.1125000      0.6933000    
 C   -1.356100      -2.716800      -1.642500    
 C    2.803900      0.3409000      0.2304000    
 C   -1.592500      -3.650300     -0.6463000    
 C    3.893500      0.1592000       1.057200    
 C    2.914100      0.9302000      -1.012400    
 C    5.148500      0.5856000      0.6222000    
 C    4.169000       1.356600      -1.447400    
 C    5.286100       1.184300     -0.6301000    
 H   -1.701000       1.400600      -1.159900    
 H   -1.457200       2.338600      0.2917000    
 H  -0.9196000      0.4034000       1.627900    
 H   -3.372200       1.114200       1.410400    
 H   -3.572700      0.1295000     -4.1499998E-02
 H   -3.726700       3.521400       1.275900    
 H   -4.514200       4.198400     -0.1564000    
 H   -2.824100       3.812500     -0.2383000    
 H   -5.755500       1.870800       1.058700    
 H   -5.813600      0.8562000     -0.3997000    
 H   -6.182600       2.568800     -0.5194000    
 H  -0.9121000     -0.6557000      -2.020100    
 H   -1.372100      -1.875400       2.076000    
 H   -1.360200      -3.001300      -2.688400    
 H   -1.788900      -4.688400     -0.8934000    
 H    3.798400     -0.3025000       2.035500    
 H    2.063000       1.063200      -1.673500    
 H    6.018300      0.4521000       1.258800    
 H    4.277200       1.819700      -2.423800    
 H    6.263200       1.515700     -0.9691000    


%chk=000050707-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050707

0 1
O 0.520485 0.582878 0.030836
O 1.387041 -0.442643 1.943001
N -4.149653 2.150471 -0.226213
N -1.873783 -3.476684 0.627080
C -1.781334 1.310289 -0.093830
C -0.868328 0.217756 0.488837
C -3.236665 1.167264 0.401963
C -1.191055 -1.193886 0.028214
C -3.877598 3.545357 0.179396
C -5.567935 1.791236 -0.013389
C -1.158697 -1.555103 -1.341997
C -1.544530 -2.195072 0.966300
C 1.573861 0.160042 0.857088
C -1.484002 -2.876597 -1.712483
C 2.906580 0.524897 0.295053
C -1.840622 -3.798551 -0.699629
C 4.061724 0.163468 1.036601
C 3.043220 1.211425 -0.939784
C 5.343471 0.486971 0.547303
C 4.328338 1.533342 -1.424906
C 5.479088 1.172683 -0.683856
H -1.778576 1.268417 -1.198503
H -1.361052 2.288232 0.202858
H -0.872358 0.250185 1.595313
H -3.255981 1.240854 1.523425
H -3.606570 0.157663 0.141546
H -3.980440 3.708999 1.283342
H -4.586013 4.219779 -0.333444
H -2.858650 3.845153 -0.118105
H -5.877705 1.816964 1.062677
H -5.755891 0.773418 -0.398862
H -6.215263 2.492410 -0.569903
H -0.871443 -0.817314 -2.099070
H -1.554148 -1.968123 2.039218
H -1.464135 -3.192730 -2.760239
H -2.104856 -4.833145 -0.947230
H 3.930298 -0.367332 1.985304
H 2.145764 1.484322 -1.501630
H 6.233957 0.206861 1.120144
H 4.435060 2.063684 -2.377401
H 6.475796 1.423960 -1.063724


