%chk=000004915.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004915

0 1
 O   -2.804300       1.714400     -0.5462000    
 N   -2.961600     -0.5438000     -0.1107000    
 N    4.042600     -0.4853000     -0.2273000    
 N    5.453700     -0.4935000      5.0099999E-02
 C   -4.409000     -0.6322000     -0.2979000    
 C    1.924900      0.4580000      0.4715000    
 C  -0.8064000      0.5863000     -2.4999999E-03
 C   -2.252300      0.6543000     -0.2530000    
 C    3.393100      0.3887000      0.7253000    
 C   -5.130400     -0.3612000       1.019400    
 C   -4.767100      -2.010300     -0.8453000    
 C    1.411100       1.427900     -0.3895000    
 C    1.065700     -0.4475000       1.094100    
 C   3.8199998E-02   1.492400     -0.6276000    
 C  -0.3072000     -0.3830000      0.8558000    
 C    6.109100      -1.365200     -0.9161000    
 H   -4.709100      0.1282000      -1.028100    
 H   -2.478200      -1.404700      0.1213000    
 H    3.812100       1.403900      0.6831000    
 H    3.563200      3.6100000E-02   1.751900    
 H   -6.216000     -0.4158000      0.8888000    
 H   -4.840300      -1.087200       1.787100    
 H   -4.884900      0.6359000       1.400600    
 H   -4.251300      -2.196500      -1.793700    
 H   -5.844300      -2.091500      -1.023700    
 H   -4.475400      -2.804800     -0.1494000    
 H    2.070000       2.137500     -0.8830000    
 H    1.452800      -1.204100       1.771700    
 H  -0.3452000       2.251000      -1.304200    
 H  -0.9420000      -1.084200       1.388200    
 H    3.894000     -0.1277000      -1.171700    
 H    5.824700      0.4509000     -5.6000002E-02
 H    7.184300      -1.388500     -0.7125000    
 H    5.971500      -1.011000      -1.943800    
 H    5.739000      -2.393600     -0.8404000    


%chk=000004915-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004915

0 1
O -3.017246 1.750473 0.015788
N -3.009256 -0.560944 -0.180048
N 4.148727 -0.355505 -0.406670
N 5.563651 -0.416152 -0.182262
C -4.487068 -0.664739 -0.212611
C 1.997499 0.758016 0.117096
C -0.856327 0.631412 0.017288
C -2.364551 0.656449 -0.041864
C 3.516715 0.832477 0.208602
C -5.074239 -0.637076 1.218793
C -4.893121 -1.932773 -0.988416
C 1.227751 1.921392 -0.135503
C 1.320903 -0.472044 0.320298
C -0.179499 1.861659 -0.175710
C -0.086652 -0.535158 0.272392
C 6.075586 -1.794983 -0.095066
H -4.846632 0.234712 -0.746691
H -2.465931 -1.419458 -0.276923
H 3.863876 1.797352 -0.235417
H 3.843473 0.839366 1.265528
H -6.179294 -0.644156 1.181997
H -4.739658 -1.516327 1.800500
H -4.751004 0.278754 1.741627
H -4.495792 -1.916862 -2.019293
H -5.993010 -2.007654 -1.044856
H -4.524136 -2.846648 -0.482126
H 1.734888 2.880475 -0.297930
H 1.917839 -1.368596 0.517044
H -0.785963 2.755658 -0.353848
H -0.570740 -1.499620 0.471711
H 3.864658 -0.480964 -1.396206
H 6.115020 0.173339 -0.830832
H 7.157744 -1.753369 0.128364
H 5.931451 -2.400917 -1.021368
H 5.565338 -2.313689 0.732913


