%chk=000052940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052940

0 1
 O   -1.060500       2.778500     -0.4934000    
 O   0.3898000       2.061400       1.155500    
 N   -2.349900      -1.104200     -0.9620000    
 C   -2.160500      0.2054000     -0.3074000    
 C   -1.933600      -2.054600      8.5400000E-02
 C  -0.6362000      0.4794000     -0.3475000    
 C   0.1756000     -0.6077000      0.4044000    
 C  -0.3915000      -2.022700      0.1237000    
 C   -2.702900     -5.4000001E-03   1.114400    
 C   -2.547200      -1.503700       1.374700    
 C    1.667400     -0.5412000      0.1160000    
 C   -3.723300      -1.320900      -1.409800    
 C  -0.3577000       1.846400      0.2111000    
 C    2.580600     -0.8319000       1.125600    
 C    2.111100     -0.1905000      -1.156000    
 C    3.948800     -0.7711000      0.8613000    
 C    3.479400     -0.1299000      -1.420300    
 C    4.398100     -0.4201000     -0.4117000    
 C  -0.8875000       4.132800     -6.4199999E-02
 H   -2.708900       1.000200     -0.8261000    
 H   -2.260500      -3.080600     -0.1183000    
 H  -0.3652000      0.5182000      -1.407600    
 H   5.5500001E-02 -0.4248000       1.482400    
 H  -8.7000001E-03  -2.393800     -0.8374000    
 H  -2.5300000E-02  -2.720900      0.8875000    
 H   -3.764900      0.2641000       1.163500    
 H   -2.182300      0.5928000       1.868600    
 H   -1.930100      -1.702800       2.257000    
 H   -3.533300      -1.947700       1.555400    
 H   -3.987600     -0.5861000      -2.178200    
 H   -4.467500      -1.256100     -0.6095000    
 H   -3.813800      -2.308100      -1.876300    
 H    2.243200      -1.108800       2.120600    
 H    1.443000      1.5000000E-03  -1.986600    
 H    4.664300     -0.9982000       1.646200    
 H    3.830200      0.1333000      -2.413900    
 H    5.463400     -0.3754000     -0.6183000    
 H   -1.498100       4.773500     -0.7059000    
 H   0.1605000       4.430900     -0.1648000    
 H   -1.225000       4.247700      0.9703000    


%chk=000052940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052940

0 1
O -0.514344 2.846806 -0.547038
O -0.252773 1.995939 1.602406
N -2.494266 -1.111336 -1.000921
C -2.289666 0.141295 -0.210797
C -1.971846 -2.148160 -0.049441
C -0.756590 0.468797 -0.288995
C 0.094353 -0.670250 0.361208
C -0.428326 -2.066573 -0.090227
C -2.758781 -0.198804 1.248613
C -2.551232 -1.746703 1.355807
C 1.587631 -0.497338 0.079615
C -3.898398 -1.326404 -1.421464
C -0.468815 1.802279 0.381513
C 2.493864 -0.228060 1.135949
C 2.101072 -0.597122 -1.240800
C 3.876774 -0.072292 0.886245
C 3.480857 -0.440097 -1.495651
C 4.376400 -0.179519 -0.431503
C -0.277737 4.204409 0.002128
H -2.856642 0.973170 -0.664035
H -2.301620 -3.151659 -0.372374
H -0.519152 0.563241 -1.362336
H -0.047117 -0.583589 1.455603
H -0.106429 -2.274498 -1.126856
H 0.018300 -2.844074 0.559221
H -3.821988 0.070750 1.378165
H -2.182517 0.359190 2.006493
H -1.859966 -2.020748 2.172501
H -3.507601 -2.265271 1.546648
H -4.200535 -0.511489 -2.103249
H -4.636700 -1.367639 -0.584998
H -3.964374 -2.276097 -1.981558
H 2.107847 -0.128094 2.157495
H 1.418896 -0.797949 -2.076383
H 4.560761 0.135317 1.717224
H 3.858995 -0.520709 -2.521409
H 5.447880 -0.059519 -0.628108
H -0.348368 4.874186 -0.866265
H 0.721495 4.256649 0.465828
H -1.040441 4.450867 0.760147


