%chk=000049439.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049439

0 1
 N  -0.3290000      -1.248700      0.2113000    
 C   -1.380400      -2.009300     -0.4582000    
 C   0.5899000      -2.026300       1.038300    
 C   -2.737400      -1.389500     -0.2543000    
 C    1.959700      -2.118400      0.4202000    
 C  -8.3200000E-02  5.1500000E-02 -9.8399997E-02
 C   -3.506800      -1.772700      0.8354000    
 C    2.251500      -3.166900     -0.4411000    
 C   -3.199500     -0.4435000      -1.158500    
 C    2.911200      -1.153500      0.7201000    
 C   0.3960000       1.018600      0.7136000    
 C   0.6534000       2.400300      0.3391000    
 C   -4.763800      -1.198600       1.024600    
 C    3.520400      -3.252300      -1.014000    
 C   -4.456600      0.1307000     -0.9693000    
 C    4.180000      -1.238900      0.1471000    
 C   -5.238700     -0.2469000      0.1223000    
 C    4.484600      -2.288300     -0.7199000    
 C    1.681100       3.111100      0.9592000    
 C  -0.1272000       3.014800     -0.6402000    
 C    1.928000       4.436200      0.6004000    
 C   0.1197000       4.339900     -0.9990000    
 C    1.147300       5.050600     -0.3786000    
 H   -1.416500      -3.051400     -0.1147000    
 H   -1.156500      -2.076600      -1.531600    
 H   0.2108000      -3.038600       1.230700    
 H   0.6622000      -1.577500       2.038100    
 H  -0.3642000      0.2866000      -1.119800    
 H   -3.144800      -2.511300       1.545100    
 H    1.506700      -3.921400     -0.6780000    
 H   -2.605300     -0.1458000      -2.017700    
 H    2.708900     -0.3481000       1.417700    
 H   0.6375000      0.7700000       1.744600    
 H   -5.372600      -1.492000       1.874800    
 H    3.757600      -4.069200      -1.689300    
 H   -4.827200      0.8707000      -1.672700    
 H    4.933400     -0.4927000      0.3820000    
 H   -6.217500      0.2001000      0.2695000    
 H    5.473100      -2.355600      -1.164700    
 H    2.300800       2.647200       1.723000    
 H  -0.9468000       2.497200      -1.131700    
 H    2.728200       4.989700       1.083100    
 H  -0.4905000       4.820100      -1.758500    
 H    1.338900       6.082600     -0.6574000    


%chk=000049439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049439

0 1
N -0.187177 -0.942424 0.386734
C -1.021384 -1.727585 -0.550933
C 0.785316 -1.687056 1.202388
C -2.482682 -1.284076 -0.616195
C 1.965209 -2.287994 0.429479
C -0.134988 0.444906 0.255057
C -3.200497 -0.954180 0.561720
C 2.444533 -3.578479 0.766068
C -3.156877 -1.250705 -1.860964
C 2.601063 -1.572126 -0.617682
C 0.792220 1.310949 0.789799
C 0.732608 2.776442 0.690856
C -4.567255 -0.607768 0.495159
C 3.546785 -4.141511 0.083124
C -4.526980 -0.907209 -1.930801
C 3.699452 -2.135461 -1.304553
C -5.236850 -0.585944 -0.751766
C 4.178818 -3.420159 -0.955274
C 1.857756 3.543432 1.121004
C -0.395307 3.495290 0.186796
C 1.866744 4.951137 1.038463
C -0.383093 4.901457 0.098745
C 0.746701 5.643723 0.521931
H -0.976966 -2.779538 -0.207048
H -0.589506 -1.718595 -1.574507
H 0.250767 -2.504747 1.725955
H 1.154895 -1.003360 1.989591
H -0.964485 0.843088 -0.341643
H -2.677420 -0.956627 1.525237
H 1.952686 -4.147172 1.565954
H -2.607974 -1.492777 -2.779839
H 2.234324 -0.576892 -0.893272
H 1.666361 0.911456 1.321284
H -5.110110 -0.352820 1.412369
H 3.906054 -5.140643 0.354754
H -5.035335 -0.884026 -2.901264
H 4.182826 -1.571899 -2.110750
H -6.297411 -0.315349 -0.802974
H 5.031116 -3.854938 -1.489318
H 2.735955 3.018566 1.519073
H -1.296851 2.953661 -0.122786
H 2.747935 5.508963 1.376823
H -1.263785 5.425497 -0.291572
H 0.749206 6.737392 0.457375


