%chk=000065749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065749

0 1
 O    5.737500      0.6851000      0.2892000    
 N   -2.236100       1.325400      0.1887000    
 N   0.8884000      -1.841800     -4.3099999E-02
 C   -2.253300     -7.5400002E-02  0.6462000    
 C   -1.452400      -1.001500     -0.3054000    
 C   -3.190800      0.1146000      -1.742800    
 C   -3.733000     -0.5616000      0.6240000    
 C   -1.968200     -0.8240000      -1.748000    
 C   -4.278100     -0.4614000     -0.8177000    
 C   -2.744200       1.478000      -1.181000    
 C   2.4100000E-02 -0.7862000     -0.1868000    
 C   -1.017800       2.075200      0.4899000    
 C   -4.621000      0.1949000       1.614700    
 C   0.7708000      0.3792000     -0.1750000    
 C   0.2421000       1.766600     -0.3319000    
 C    2.144000     -3.1000001E-03 -1.8999999E-02
 C   -6.022600     -0.3798000       1.646300    
 C    2.182800      -1.395100      6.3000001E-02
 C    3.362200      0.7061000      5.6699999E-02
 C    3.372800      -2.114600      0.2213000    
 C    4.561100      1.4000000E-03  0.2150000    
 C    4.564000      -1.388500      0.2964000    
 C    5.667400       2.106600      0.1994000    
 H   -1.874800     -0.1508000       1.674000    
 H   -1.656600      -2.040700     -7.7999998E-03
 H   -3.581500      0.2303000      -2.759600    
 H   -3.744600      -1.620700      0.9184000    
 H   -1.194700     -0.4215000      -2.414000    
 H   -2.252100      -1.801000      -2.159200    
 H   -5.160800      0.1835000     -0.8852000    
 H   -4.583100      -1.454400      -1.169600    
 H   -2.009900       1.920000      -1.862000    
 H   -3.596400       2.167700      -1.159500    
 H  -0.7875000       1.962600       1.557800    
 H   -1.245700       3.141500      0.3612000    
 H   -4.678800       1.260700       1.366000    
 H   -4.186300      0.1243000       2.618900    
 H    1.013000       2.483100     -2.1400001E-02
 H   7.6099999E-02   1.960000      -1.397400    
 H   0.6134000      -2.813900     -1.5900001E-02
 H   -6.566000     -0.2225000      0.7110000    
 H   -6.006000      -1.454000       1.857800    
 H   -6.602700      0.1039000       2.439600    
 H    3.304800       1.785300     -1.3500000E-02
 H    3.375000      -3.197900      0.2826000    
 H    5.502700      -1.923500      0.4188000    
 H    5.105000       2.536400       1.035200    
 H    5.281600       2.431000     -0.7731000    
 H    6.691900       2.485600      0.2773000    


%chk=000065749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065749

0 1
O 5.845134 0.672034 0.279781
N -2.272547 1.311849 0.129726
N 0.894756 -1.892478 -0.045324
C -2.327518 -0.093050 0.603054
C -1.475194 -1.050359 -0.299564
C -3.219070 0.083711 -1.796458
C -3.806549 -0.581448 0.593044
C -2.005806 -0.884286 -1.779414
C -4.345900 -0.450676 -0.875912
C -2.760031 1.466963 -1.269708
C 0.008100 -0.803822 -0.153641
C -1.084810 2.102255 0.505871
C -4.669046 0.177836 1.628651
C 0.754791 0.386300 -0.129052
C 0.237817 1.802254 -0.263214
C 2.151261 0.006864 -0.004178
C -6.103189 -0.379240 1.762902
C 2.211074 -1.427912 0.051938
C 3.357886 0.759574 0.068293
C 3.432882 -2.123510 0.184507
C 4.574508 0.058899 0.198037
C 4.615302 -1.368093 0.257221
C 5.884286 2.130476 0.223204
H -1.933581 -0.115119 1.637180
H -1.678903 -2.089962 0.035371
H -3.593964 0.196646 -2.832137
H -3.796096 -1.653905 0.884158
H -1.202449 -0.485552 -2.426616
H -2.302327 -1.865151 -2.196589
H -5.201001 0.252372 -0.907029
H -4.716970 -1.421474 -1.255981
H -1.960982 1.858322 -1.937422
H -3.602475 2.191374 -1.315177
H -0.910059 1.945901 1.588075
H -1.329035 3.175655 0.366024
H -4.690949 1.248850 1.349443
H -4.168652 0.126651 2.617909
H 1.005642 2.507914 0.113003
H 0.099354 2.061375 -1.335229
H 0.604793 -2.867600 -0.013816
H -6.650227 -0.331143 0.802852
H -6.091797 -1.437233 2.088864
H -6.685908 0.195548 2.506284
H 3.329471 1.852327 0.020765
H 3.472676 -3.217562 0.229088
H 5.592301 -1.849655 0.359414
H 5.324837 2.584827 1.065680
H 5.474651 2.510841 -0.734270
H 6.949212 2.396713 0.300890


