%chk=000050660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050660

1 1
 N   9.6400000E-02  0.4181000      0.2065000    
 N   -3.590800       1.104700      0.2874000    
 N    3.755400       1.069700     -0.3216000    
 N   0.2398000      -1.081500       2.044800    
 C   -1.188100       1.134800     -0.1147000    
 C    1.317700       1.126200     -0.3170000    
 C   -2.343000      0.4019000      0.5469000    
 C   5.4200001E-02 -0.9821000     -0.2565000    
 C   -3.921100       1.148800      -1.136800    
 C   -4.738300      0.4583000      0.9235000    
 C   0.2156000      0.1700000       1.693100    
 C   -5.388100       1.552900      -1.134500    
 C   -5.924200       1.102400      0.2208000    
 C    2.559400      0.4279000      0.2110000    
 C   0.1412000      -1.813500      0.8545000    
 C  -5.1700000E-02  -1.467700      -1.547400    
 C   0.1238000      -3.188100      0.7037000    
 C    3.789000       2.485700      4.8700001E-02
 C    4.961100      0.3913000      0.1571000    
 C  -6.9600001E-02  -2.853800      -1.706700    
 C   1.7400000E-02  -3.707100     -0.5912000    
 C    4.996500       3.182500     -0.5551000    
 C    4.947500      -1.081300     -0.2165000    
 H   -1.097300       2.156500      0.2752000    
 H   -1.264800       1.183000      -1.206500    
 H    1.267700       1.139400      -1.412700    
 H    1.218300       2.149600      5.5500001E-02
 H   -2.432300     -0.6332000      0.1981000    
 H   -2.215900      0.3736000       1.634700    
 H   -3.329200       1.882700      -1.692100    
 H   -3.807800      0.1674000      -1.615100    
 H   -4.747300     -0.6248000      0.7456000    
 H   -4.766200      0.6346000       2.003400    
 H   0.2748000       1.003800       2.410500    
 H   -5.494200       2.639800      -1.232000    
 H   -5.933800       1.086700      -1.961100    
 H   -6.757700      0.4008000      0.1145000    
 H   -6.285600       1.971000      0.7837000    
 H    2.605000      0.4353000       1.306500    
 H    2.537100     -0.6109000     -0.1226000    
 H  -0.1192000     -0.8091000      -2.405100    
 H   0.1907000      -3.850400       1.559800    
 H    3.779400       2.628800       1.136500    
 H    2.934400       3.026500     -0.3663000    
 H    5.087800      0.4946000       1.242200    
 H    5.852800      0.8089000     -0.3216000    
 H  -0.1517000      -3.281300      -2.702300    
 H   1.6000000E-03  -4.783800     -0.7392000    
 H    4.878300       4.268300     -0.4628000    
 H    5.105300       2.956700      -1.621600    
 H    5.927700       2.927500     -4.0199999E-02
 H    5.950000      -1.502100     -7.6800004E-02
 H    4.676200      -1.234400      -1.266800    
 H    4.276600      -1.669400      0.4176000    


%chk=000050660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050660

1 1
N 0.096204 0.026921 0.397236
N -3.554402 0.875593 -0.489245
N 3.759094 1.207297 0.163060
N -0.023121 -1.326223 2.357136
C -1.149815 0.739877 -0.239919
C 1.380049 0.852461 0.012774
C -2.497534 0.066112 0.098922
C 0.204116 -1.413281 0.017728
C -4.590345 0.240941 -1.366454
C -4.157998 1.955674 0.339237
C -0.048378 -0.098692 1.923553
C -5.914655 0.958378 -0.994086
C -5.445114 2.324496 -0.429324
C 2.688146 0.303803 0.615262
C 0.130298 -2.178270 1.210468
C 0.354137 -1.985746 -1.247146
C 0.206824 -3.580663 1.167092
C 4.138982 2.266571 1.142596
C 4.903177 0.537720 -0.515885
C 0.430246 -3.404218 -1.289446
C 0.358112 -4.183914 -0.105924
C 4.631683 3.563074 0.474518
C 4.529960 -0.048021 -1.889894
H -1.128215 1.777393 0.135667
H -0.981417 0.750785 -1.329800
H 1.435044 0.847861 -1.088422
H 1.192281 1.884172 0.357233
H -2.520812 -0.955454 -0.321830
H -2.603757 -0.022409 1.207544
H -4.341145 0.396342 -2.434343
H -4.650916 -0.851876 -1.189358
H -4.401668 1.584567 1.363399
H -3.477650 2.821900 0.446302
H -0.151003 0.814396 2.510555
H -6.589257 1.065220 -1.858936
H -6.451280 0.390949 -0.212180
H -6.196371 2.799507 0.222450
H -5.210239 3.024209 -1.251339
H 2.616766 0.252522 1.724543
H 2.870731 -0.722770 0.251219
H 0.409499 -1.395685 -2.167823
H 0.150100 -4.171242 2.085298
H 4.913091 1.888453 1.851525
H 3.243846 2.499421 1.751650
H 5.340933 -0.258768 0.131915
H 5.690163 1.297840 -0.658127
H 0.546924 -3.902841 -2.256488
H 0.420447 -5.273748 -0.180124
H 4.865542 4.320825 1.243910
H 3.859785 3.972208 -0.200342
H 5.550232 3.401923 -0.116498
H 5.417704 -0.507052 -2.360478
H 4.153498 0.746016 -2.558219
H 3.758277 -0.838352 -1.812162


