%chk=000039286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039286

0 1
 O   2.4400000E-02   1.618900       1.960300    
 N    1.086500     -0.1689000      0.8426000    
 N    4.206300       1.546800     -0.2462000    
 C   -1.264500     -0.2921000       1.110500    
 C  -0.7188000      -1.481200      0.3665000    
 C   0.6660000      -1.363300      0.2420000    
 C   3.5000001E-03  0.5410000       1.383100    
 C    2.459400      0.2746000      0.8983000    
 C   -2.257200      0.4943000      0.3266000    
 C    2.827000       1.085300     -0.3357000    
 C   -1.386000      -2.584600     -0.1374000    
 C    1.424800      -2.328900     -0.3963000    
 C  -0.6356000      -3.568900     -0.7853000    
 C   0.7579000      -3.441300     -0.9145000    
 C   -3.623000      0.2520000      0.4842000    
 C   -1.824200       1.475400     -0.5669000    
 C   -4.552800      0.9884000     -0.2497000    
 C   -2.754200       2.212000      -1.300800    
 C    4.555400       2.359800      -1.412900    
 C    5.123800      0.4121000     -0.1264000    
 C   -4.118500       1.968400      -1.142100    
 H   -1.659400     -0.6059000       2.084600    
 H    2.573100      0.9017000       1.791800    
 H    3.081100     -0.6121000       1.048000    
 H    2.665000      0.4889000      -1.243600    
 H    2.152000       1.948500     -0.4041000    
 H   -2.460200      -2.691700     -3.5399999E-02
 H    2.499800      -2.242900     -0.5045000    
 H   -1.133400      -4.444600      -1.193000    
 H    1.321900      -4.219000      -1.422700    
 H   -3.974600     -0.5091000       1.175900    
 H  -0.7712000       1.679900     -0.7374000    
 H    4.493600       1.790000      -2.347300    
 H    3.888600       3.225900      -1.491800    
 H    5.572100       2.756900      -1.316300    
 H    6.162800      0.7499000     -0.2273000    
 H    5.076700     -4.9500000E-02  0.8645000    
 H    4.949100     -0.3520000     -0.8928000    
 H   -5.615000      0.7985000     -0.1266000    
 H   -2.416300       2.971400      -1.999800    
 H   -4.842400       2.540800      -1.714500    


%chk=000039286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039286

0 1
O -0.057491 1.500074 1.970392
N 1.049524 -0.269202 0.855976
N 4.296007 1.481590 -0.063274
C -1.339472 -0.426927 0.940599
C -0.731549 -1.608432 0.202096
C 0.683254 -1.465242 0.183109
C -0.083669 0.417361 1.332279
C 2.417352 0.239109 1.022389
C -2.378434 0.409401 0.191159
C 2.894224 1.038506 -0.217829
C -1.329351 -2.726974 -0.395819
C 1.519319 -2.421666 -0.423792
C -0.503688 -3.705942 -1.010478
C 0.902371 -3.549885 -1.020829
C -3.292949 1.202906 0.928224
C -2.415653 0.455393 -1.225087
C -4.231751 2.022326 0.264111
C -3.355026 1.274579 -1.890461
C 4.599978 2.718575 -0.811635
C 5.278084 0.413865 -0.338001
C -4.267166 2.060315 -1.149060
H -1.790055 -0.760476 1.897318
H 2.424234 0.910071 1.897274
H 3.091938 -0.610301 1.233156
H 2.743630 0.425380 -1.142828
H 2.249211 1.930453 -0.310589
H -2.419004 -2.840530 -0.393335
H 2.607906 -2.307521 -0.440925
H -0.957133 -4.585068 -1.480124
H 1.528115 -4.311069 -1.500318
H -3.258010 1.189098 2.023692
H -1.714922 -0.154058 -1.806698
H 4.534713 2.597323 -1.922690
H 3.899590 3.516984 -0.510913
H 5.623864 3.054958 -0.567388
H 6.295443 0.779762 -0.112192
H 5.090893 -0.461713 0.308173
H 5.262446 0.067534 -1.403616
H -4.932306 2.630456 0.847299
H -3.374643 1.299898 -2.986017
H -4.996324 2.694490 -1.665747


