%chk=000052814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052814

0 1
 N   -1.077500     -0.1454000     -0.3299000    
 N    1.186800     -0.1402000      -1.046100    
 C   0.3116000     -0.2359000      0.1458000    
 C  -0.9860000      0.6616000      -1.544400    
 C   0.2754000      0.1029000      -2.175500    
 C   0.5539000      -1.576100      0.8345000    
 C   -1.986800      0.4391000      0.6469000    
 C    2.162300      0.9404000     -0.9072000    
 C   0.2632000      -2.742100     -0.1047000    
 C   -3.399700      0.5248000      7.1900003E-02
 C    3.117300      0.6478000      0.2488000    
 C   -4.375500       1.116400       1.089800    
 C    4.160100       1.756200      0.3982000    
 C   0.4789000      -4.077200      0.5898000    
 C   -5.776900       1.237800      0.5130000    
 C    5.092800       1.490000       1.569000    
 H   0.4994000      0.5829000      0.8521000    
 H  -0.8676000       1.731300      -1.328900    
 H   -1.838100      0.5157000      -2.215100    
 H   6.1799999E-02 -0.8567000      -2.663300    
 H   0.6858000      0.7706000      -2.941200    
 H  -7.9700001E-02  -1.656400       1.726800    
 H    1.590400      -1.641700       1.187200    
 H   -2.010500     -0.1867000       1.547000    
 H   -1.653300       1.438400      0.9561000    
 H    2.750800       1.016400      -1.830200    
 H    1.670500       1.910300     -0.7559000    
 H   0.9163000      -2.713500     -0.9837000    
 H  -0.7712000      -2.712600     -0.4647000    
 H   -3.425400       1.160900     -0.8200000    
 H   -3.743500     -0.4732000     -0.2285000    
 H    2.589600      0.5605000       1.204000    
 H    3.627600     -0.3084000      7.5199999E-02
 H   -4.407700      0.4847000       1.985100    
 H   -4.030800       2.108300       1.404500    
 H    4.750500       1.838600     -0.5217000    
 H    3.660400       2.719900      0.5512000    
 H  -0.1828000      -4.180800       1.455700    
 H   0.2680000      -4.901700     -9.8600000E-02
 H    1.513500      -4.178600      0.9333000    
 H   -6.164100      0.2585000      0.2138000    
 H   -5.785700       1.893600     -0.3635000    
 H   -6.458400       1.659100       1.258700    
 H    5.630100      0.5455000       1.435500    
 H    4.537000       1.439300       2.510700    
 H    5.832200       2.292400       1.654300    


%chk=000052814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052814

0 1
N -1.111696 -0.025316 -0.391094
N 1.216999 -0.041825 -0.972079
C 0.272314 -0.226038 0.177110
C -0.960727 0.684264 -1.684901
C 0.368983 0.089076 -2.196907
C 0.403747 -1.605002 0.864718
C -2.068888 0.572726 0.561177
C 2.206135 1.049778 -0.776771
C 0.238647 -2.802378 -0.093340
C -3.524320 0.543529 0.051967
C 3.285949 0.692911 0.266851
C -4.526005 1.093358 1.092859
C 4.350977 1.802794 0.416971
C 0.371195 -4.160688 0.627524
C -5.980051 1.104855 0.573553
C 5.420318 1.463484 1.477978
H 0.489290 0.568102 0.939422
H -0.879302 1.794715 -1.558790
H -1.810426 0.473188 -2.358130
H 0.183583 -0.909572 -2.634826
H 0.865457 0.720409 -2.953254
H -0.351178 -1.669461 1.677386
H 1.400347 -1.652054 1.349526
H -2.014016 -0.000413 1.507490
H -1.789760 1.633492 0.808099
H 2.706115 1.222744 -1.749559
H 1.725350 2.017996 -0.477771
H 1.005253 -2.717689 -0.887704
H -0.749396 -2.724429 -0.585668
H -3.608735 1.139259 -0.879247
H -3.785597 -0.500251 -0.211890
H 2.811422 0.509918 1.252500
H 3.765076 -0.258781 -0.035849
H -4.467334 0.481631 2.016316
H -4.228373 2.122554 1.381519
H 4.842412 1.973519 -0.562884
H 3.852956 2.757326 0.685702
H -0.394771 -4.269582 1.419615
H 0.249014 -5.004920 -0.076556
H 1.363609 -4.263565 1.107289
H -6.311148 0.085207 0.300613
H -6.073196 1.739454 -0.328090
H -6.679547 1.495527 1.335359
H 5.951880 0.528326 1.219458
H 4.958599 1.320880 2.473350
H 6.173839 2.267642 1.566758


