%chk=000005305.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005305

0 1
 O   -6.042200      -1.425800      0.5381000    
 O    1.190500       1.872000      -2.058700    
 N    2.070400       2.143800      5.9999999E-02
 N  -0.3521000      0.9359000       2.370400    
 C   -5.857200       1.406500      0.3822000    
 C   -3.898200      -3.197700     -5.0600000E-02
 C   -4.712000      0.5020000      6.5800004E-02
 C   -3.769600      -1.712800     -0.1423000    
 C   -4.850200     -0.8830000      0.1567000    
 C   -3.493300       1.057200     -0.3241000    
 C   -2.550800      -1.157600     -0.5322000    
 C   -2.427300      0.2207000     -0.6184000    
 C   -6.295400       2.245600     -0.8322000    
 C   -5.562900       2.330200       1.578400    
 C   -2.952100      -3.804900       1.001600    
 C   -3.684700      -3.890400      -1.409000    
 C   -1.141800      0.8065000      -1.029300    
 C    4.406400       1.665900     -0.6030000    
 C    4.767200      0.8310000      0.6329000    
 C    3.327900       2.720200     -0.3615000    
 C  -0.1473000       1.175500     -0.1986000    
 C    5.858600     -0.1805000      0.3888000    
 C    1.086700       1.759800     -0.8381000    
 C    5.521600      -1.457900     -3.3000000E-02
 C    7.181600      0.1830000      0.5905000    
 C    6.531200      -2.393600     -0.2583000    
 C    8.191200     -0.7526000      0.3651000    
 C  -0.2623000       1.042200       1.218200    
 C    7.866000      -2.041100     -5.9400000E-02
 H   -6.735100      0.8151000      0.6697000    
 H   -4.900400      -3.489900      0.2779000    
 H   -3.374100       2.135200     -0.3991000    
 H   -1.701700      -1.794400     -0.7680000    
 H   -6.529900       1.600500      -1.686400    
 H   -7.193100       2.826300     -0.5935000    
 H   -5.518400       2.950300      -1.147200    
 H   -5.270700       1.745900       2.458100    
 H   -6.452800       2.912100       1.842000    
 H   -4.755500       3.038000       1.362500    
 H   -3.109500      -3.339400       1.981000    
 H   -3.134200      -4.880000       1.107700    
 H   -1.898700      -3.672500      0.7326000    
 H   -2.663200      -3.759500      -1.781700    
 H   -3.871400      -4.966700      -1.324700    
 H   -4.371800      -3.488600      -2.162100    
 H   -1.049000      0.9182000      -2.107400    
 H    5.307700       2.172000     -0.9719000    
 H    4.079800      0.9933000      -1.406900    
 H    3.876600      0.3079000       1.004700    
 H    5.071400       1.499700       1.449000    
 H    3.645300       3.413800      0.4244000    
 H    3.167500       3.300100      -1.276900    
 H   -6.257000      -2.156900     -6.5099999E-02
 H    1.936200       2.023200       1.058400    
 H    4.485200      -1.741200     -0.1929000    
 H    7.445000       1.184400      0.9189000    
 H    6.278100      -3.396600     -0.5894000    
 H    9.230600     -0.4780000      0.5194000    
 H    8.652100      -2.769500     -0.2352000    


%chk=000005305-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005305

0 1
O -6.244295 -1.232761 0.745333
O 1.499144 -0.253437 -2.490767
N 2.141834 1.748131 -1.490754
N -0.402240 2.950831 0.538474
C -5.038140 1.162611 1.638021
C -4.979835 -3.209236 -1.131638
C -4.325923 0.205096 0.678346
C -4.314183 -1.910707 -0.655346
C -4.954782 -0.999686 0.239454
C -3.030692 0.482513 0.210376
C -3.018096 -1.582686 -1.094487
C -2.344993 -0.396582 -0.680295
C -5.204447 2.572305 1.009993
C -4.289096 1.248362 2.995556
C -4.207207 -4.458121 -0.627562
C -5.147928 -3.233619 -2.674206
C -1.004614 -0.178805 -1.201338
C 4.543103 0.980373 -1.324124
C 4.842863 1.595609 0.069905
C 3.472378 1.759389 -2.124763
C -0.087766 0.836391 -0.993914
C 5.903894 0.811904 0.828903
C 1.242623 0.724681 -1.718841
C 5.551086 -0.328661 1.596621
C 7.272986 1.176692 0.754451
C 6.537050 -1.084366 2.269763
C 8.263670 0.424130 1.425692
C -0.296862 1.972925 -0.151234
C 7.898801 -0.710831 2.186072
H -6.045533 0.755355 1.831782
H -6.007748 -3.287362 -0.709313
H -2.544875 1.402775 0.545248
H -2.499410 -2.263364 -1.780920
H -5.761810 2.524072 0.057056
H -5.759163 3.233548 1.701072
H -4.224524 3.043787 0.809198
H -4.193361 0.252274 3.464189
H -4.838290 1.906825 3.693744
H -3.272984 1.665581 2.867308
H -4.121766 -4.461010 0.473679
H -4.719760 -5.385905 -0.941647
H -3.183760 -4.479740 -1.043909
H -4.165167 -3.206502 -3.178828
H -5.664686 -4.157313 -2.993137
H -5.731962 -2.365829 -3.028739
H -0.621083 -0.949228 -1.888970
H 5.475085 0.955909 -1.922814
H 4.210967 -0.068124 -1.210656
H 3.903244 1.621806 0.655950
H 5.172294 2.645544 -0.064914
H 3.781235 2.814156 -2.253296
H 3.365174 1.302318 -3.124239
H -6.610293 -2.084141 0.394902
H 1.884055 2.506602 -0.855170
H 4.496140 -0.622125 1.670534
H 7.563473 2.059869 0.171109
H 6.244625 -1.959499 2.861472
H 9.315876 0.724264 1.359713
H 8.664574 -1.294085 2.709808


