%chk=000027794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027794

0 1
 N  -9.8499998E-02   1.475100     -3.0099999E-02
 N   -4.902300       1.448500     -2.1400001E-02
 N    4.700000       1.701000     -5.7700001E-02
 C   1.4400000E-02  -2.778900      0.3593000    
 C  -2.5100000E-02  -1.282500      0.2221000    
 C   -1.257600     -0.6243000      0.1636000    
 C    1.170800     -0.5605000      0.1545000    
 C   0.7254000      -3.497600     -0.8139000    
 C   -1.247300      0.7750000      3.5500001E-02
 C    1.086100      0.8363000      2.6900001E-02
 C   0.6790000      -3.198300       1.682800    
 C   -2.474800      -1.324600      0.2294000    
 C    2.423500      -1.196000      0.2111000    
 C   9.8600000E-02  -3.184500      -2.167100    
 C   -2.471300       1.436000     -2.3300000E-02
 C    2.273200       1.560600     -4.0899999E-02
 C   -3.682800      0.7431000      4.1900001E-02
 C    3.519800      0.9324000      1.5100000E-02
 C   -3.684900     -0.6400000      0.1685000    
 C    3.595500     -0.4488000      0.1414000    
 C   -6.164700      0.7395000      4.4700000E-02
 C   -4.909300       2.893200     -0.1395000    
 C    5.908100       1.255900      0.6081000    
 C    4.724300       2.939200     -0.8109000    
 H  -0.9671000      -3.243000      0.4012000    
 H   0.6113000      -4.578600     -0.6477000    
 H    1.799500      -3.360100     -0.9094000    
 H   0.3355000      -2.569500       2.512900    
 H   0.3669000      -4.223800       1.921700    
 H    1.766700      -3.229500       1.710400    
 H   -2.574500      -2.396900      0.3274000    
 H    2.610900      -2.245500      0.3318000    
 H   0.5395000      -3.821500      -2.940900    
 H  -0.9799000      -3.371500      -2.155100    
 H   0.2684000      -2.143800      -2.459100    
 H   -2.441000       2.518600     -0.1228000    
 H    2.204300       2.643700     -0.1270000    
 H   -4.596300      -1.226700      0.2236000    
 H    4.546700     -0.9716000      0.1815000    
 H   -6.268600      0.2042000      0.9951000    
 H   -6.266900      3.4000002E-02 -0.7875000    
 H   -7.017700       1.424100     -2.2100000E-02
 H   -4.420700       3.217600      -1.065000    
 H   -4.419700       3.363700      0.7205000    
 H   -5.929700       3.291400     -0.1716000    
 H    6.417600      0.4887000      1.5600000E-02
 H    5.692800      0.8556000       1.605300    
 H    6.610500       2.085300      0.7472000    
 H    5.751200       3.230600      -1.058700    
 H    4.282200       3.755500     -0.2301000    
 H    4.187000       2.842000      -1.761100    


%chk=000027794-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027794

0 1
N -0.072648 1.479539 -0.074509
N -4.913456 1.523981 -0.106448
N 4.754725 1.834559 -0.069867
C 0.038182 -2.943700 0.427485
C 0.019464 -1.414852 0.260152
C -1.230420 -0.715093 0.176137
C 1.221757 -0.637262 0.186093
C 0.686068 -3.709295 -0.770182
C -1.225683 0.741824 0.007121
C 1.124407 0.814670 0.014393
C 0.607007 -3.392938 1.804641
C -2.528846 -1.338747 0.248447
C 2.556815 -1.175758 0.271507
C -0.016229 -3.434155 -2.117615
C -2.457380 1.464509 -0.084121
C 2.307549 1.615317 -0.069048
C -3.707782 0.820598 -0.013358
C 3.596563 1.053886 0.012985
C -3.712405 -0.619363 0.161379
C 3.692155 -0.381958 0.191672
C -6.202341 0.826647 -0.017527
C -4.880962 2.979823 -0.286037
C 6.085006 1.223253 0.034931
C 4.628500 3.285350 -0.246796
H -1.012468 -3.283457 0.427057
H 0.630903 -4.792757 -0.538294
H 1.758783 -3.464047 -0.866270
H 0.063788 -2.895383 2.628325
H 0.484826 -4.486343 1.923566
H 1.677206 -3.157103 1.926226
H -2.609328 -2.421836 0.381255
H 2.700407 -2.248853 0.409365
H 0.441750 -4.025724 -2.931598
H -1.090101 -3.697333 -2.069826
H 0.053780 -2.366155 -2.391069
H -2.361647 2.545068 -0.210088
H 2.142456 2.687290 -0.196571
H -4.662248 -1.157912 0.227140
H 4.673756 -0.858762 0.268077
H -6.331165 0.309474 0.955295
H -6.325730 0.075089 -0.823791
H -7.018273 1.560032 -0.116680
H -4.341660 3.262225 -1.213110
H -4.376600 3.485898 0.562681
H -5.909505 3.368091 -0.355462
H 6.264192 0.476676 -0.765497
H 6.238372 0.720702 1.011980
H 6.852814 2.007227 -0.062269
H 5.630070 3.740648 -0.302386
H 4.081168 3.754464 0.596621
H 4.083409 3.534745 -1.179909


