%chk=000028278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028278

0 1
 O  -0.4720000      0.1346000      9.1499999E-02
 O   0.9873000     -0.1900000       1.822200    
 N   -3.290500     -0.2768000     -0.1554000    
 N    1.692200     -0.1583000     -0.4099000    
 C   -2.726200       1.031600      0.1749000    
 C   -1.384800      0.8691000      0.9080000    
 C   -2.575500       1.885100      -1.092200    
 C  -0.7747000       2.237300       1.228300    
 C   -1.958200       3.245400     -0.7690000    
 C  -0.6345000       3.108300     -2.1500001E-02
 C   -3.435300      -1.094900       1.056900    
 C   -4.577200     -0.1217000     -0.8484000    
 C   -3.978500      -2.485000      0.7227000    
 C   -5.157700      -1.480200      -1.245000    
 C   -5.298200      -2.397300     -3.5599999E-02
 C   0.7751000     -8.4100001E-02  0.6204000    
 C    3.086600     -0.3723000     -0.3204000    
 C    3.938900      0.7168000     -0.2042000    
 C    3.582300      -1.668200     -0.3508000    
 C    5.314900      0.5058000     -0.1170000    
 C    4.958300      -1.879200     -0.2633000    
 C    3.423300       2.119300     -0.1707000    
 C    2.679900      -2.853100     -0.4752000    
 C    5.824600     -0.7921000     -0.1464000    
 H   -3.412200       1.562500      0.8522000    
 H   -1.506200      0.3641000       1.871700    
 H   -3.537200       2.112500      -1.561100    
 H   -1.957700       1.369800      -1.838600    
 H   0.2051000       2.161700       1.709500    
 H   -1.426600       2.755400       1.943900    
 H   -2.659800       3.828000     -0.1589000    
 H   -1.799900       3.808400      -1.695800    
 H   0.1193000       2.678400     -0.6918000    
 H  -0.2719000       4.102200      0.2644000    
 H   -4.089600     -0.6062000       1.790500    
 H   -2.476000      -1.294500       1.540700    
 H   -4.473800      0.4121000      -1.796300    
 H   -5.299600      0.4248000     -0.2283000    
 H   -4.121300      -3.059600       1.645100    
 H   -3.245000      -3.031400      0.1159000    
 H   -4.506800      -1.956100      -1.989800    
 H   -6.136600      -1.341900      -1.718100    
 H   -5.615900      -3.395800     -0.3551000    
 H   -6.077800      -2.007800      0.6306000    
 H    1.333900     -3.8699999E-02  -1.354100    
 H    6.004200       1.340900     -2.4800001E-02
 H    5.372800      -2.883700     -0.2838000    
 H    2.818100       2.282300      0.7270000    
 H    4.236900       2.852800     -0.1562000    
 H    2.817400       2.328200      -1.058700    
 H    2.044900      -2.943800      0.4122000    
 H    2.048000      -2.764800      -1.365300    
 H    3.244200      -3.786900     -0.5728000    
 H    6.896100     -0.9565000     -7.8000002E-02


%chk=000028278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028278

0 1
O -0.227154 1.821776 -0.072727
O 0.601659 0.385001 1.617801
N -2.450597 -0.036028 0.271441
N 1.439096 0.387755 -0.594413
C -2.658663 1.442455 0.203110
C -1.405297 2.176672 0.769576
C -2.978197 1.972981 -1.216596
C -1.543954 3.706835 0.734623
C -3.143753 3.512935 -1.224182
C -1.888359 4.228045 -0.677565
C -2.574462 -0.543967 1.667683
C -3.277197 -0.853075 -0.654983
C -2.134245 -2.016256 1.780710
C -2.854510 -2.337878 -0.614701
C -2.944370 -2.909000 0.816704
C 0.603612 0.798519 0.432170
C 2.454069 -0.623127 -0.500674
C 3.511160 -0.514014 0.449167
C 2.393920 -1.706802 -1.428022
C 4.489923 -1.539552 0.473074
C 3.403100 -2.696422 -1.382022
C 3.621181 0.664273 1.394521
C 1.260137 -1.800465 -2.434512
C 4.443045 -2.622224 -0.429677
H -3.515160 1.746215 0.866567
H -1.180297 1.836691 1.795861
H -3.908769 1.513524 -1.596006
H -2.156539 1.684487 -1.901076
H -0.606267 4.158876 1.106840
H -2.348024 3.992222 1.443833
H -4.022062 3.789308 -0.603584
H -3.362247 3.853224 -2.254667
H -1.031149 4.039006 -1.351895
H -2.048064 5.322754 -0.648337
H -3.634316 -0.441676 2.025296
H -1.934146 0.063205 2.328209
H -3.152158 -0.476020 -1.683155
H -4.369662 -0.782343 -0.401084
H -2.261993 -2.352632 2.827779
H -1.055432 -2.075434 1.542809
H -1.809237 -2.417554 -0.974114
H -3.493665 -2.915075 -1.311321
H -2.575628 -3.951895 0.844120
H -4.007224 -2.931789 1.137404
H 1.170994 0.722400 -1.522230
H 5.306039 -1.470793 1.201899
H 3.362071 -3.534492 -2.087729
H 2.884160 0.579639 2.213565
H 4.633089 0.724125 1.830010
H 3.407461 1.616536 0.874193
H 0.276705 -1.672805 -1.944366
H 1.335086 -1.023574 -3.222829
H 1.268711 -2.778754 -2.943645
H 5.214682 -3.399310 -0.396748


