%chk=000031913.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031913

0 1
 N    1.781100     -0.4323000     -0.4755000    
 N   -1.059900     -0.8563000     -0.6420000    
 N    5.080400       1.139300      0.2640000    
 C   0.8875000      0.3416000      0.3998000    
 C    1.266900      -1.803700     -0.6123000    
 C   0.7737000     -0.2681000       1.813000    
 C    1.174500      -2.536500      0.7427000    
 C  -0.4793000      0.4528000     -0.3170000    
 C  -9.5700003E-02  -1.715900      -1.340400    
 C   0.4226000      -1.755800       1.820500    
 C    3.184200     -0.3683000     -8.5199997E-02
 C   -2.296700     -0.7154000      -1.404400    
 C    3.681300       1.073000     -0.1437000    
 C   -3.339800      5.8600001E-02 -0.6431000    
 C   -4.226000     -0.6190000      0.1828000    
 C   -3.400300       1.438700     -0.7773000    
 C    5.556600       2.523400      0.2465000    
 C    5.910400      0.3053000     -0.6066000    
 C   -5.192400      9.7900003E-02  0.8883000    
 C   -4.366700       2.155500     -7.1599998E-02
 C   -5.262600       1.485100      0.7613000    
 H    1.212600       1.379700      0.5068000    
 H    1.933500      -2.380400      -1.267100    
 H   2.5900001E-02  0.2804000       2.398700    
 H    1.725300     -0.1308000       2.341700    
 H    2.188200      -2.744900       1.107500    
 H   0.6988000      -3.515500      0.6074000    
 H   -1.127700       1.012200      0.3648000    
 H  -0.3493000       1.052700      -1.228800    
 H   7.3700003E-02  -1.341700      -2.360100    
 H  -0.5100000      -2.727200      -1.436500    
 H   0.6431000      -2.181800       2.806400    
 H  -0.6572000      -1.881900       1.683800    
 H    3.365500     -0.7921000      0.9091000    
 H    3.733700     -0.9844000     -0.8047000    
 H   -2.705200      -1.707500      -1.639300    
 H   -2.115900     -0.2339000      -2.375600    
 H    3.536500       1.487100      -1.150700    
 H    3.131700       1.705900      0.5577000    
 H   -4.178500      -1.698800      0.2911000    
 H   -2.718800       1.973800      -1.432400    
 H    4.959400       3.146600      0.9217000    
 H    5.514500       2.962500     -0.7569000    
 H    6.590500       2.579900      0.6050000    
 H    5.768600     -0.7615000     -0.4081000    
 H    6.973800      0.4862000     -0.4060000    
 H    5.737100      0.5052000      -1.670400    
 H   -5.889600     -0.4239000       1.537200    
 H   -4.423500       3.235400     -0.1727000    
 H   -6.015300       2.043300       1.310400    


%chk=000031913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031913

0 1
N 1.815114 -0.354398 -0.331931
N -1.043225 -0.561647 -0.712186
N 5.301192 1.083241 0.204250
C 0.890488 0.364726 0.597383
C 1.215712 -1.676030 -0.674945
C 0.668445 -0.419392 1.927747
C 1.032861 -2.577880 0.583359
C -0.405469 0.672084 -0.186321
C -0.084047 -1.405319 -1.469340
C 0.209765 -1.885494 1.701426
C 3.242235 -0.370770 0.064322
C -2.263986 -0.278164 -1.498224
C 3.940614 0.939769 -0.367109
C -3.422871 0.253652 -0.659079
C -3.698490 -0.291406 0.620724
C -4.275720 1.263939 -1.167466
C 5.819145 2.458980 0.060764
C 6.257669 0.085733 -0.317067
C -4.805179 0.159782 1.372389
C -5.388126 1.715703 -0.419816
C -5.657271 1.163974 0.853529
H 1.347908 1.342722 0.844982
H 1.908884 -2.186361 -1.373190
H -0.069249 0.118177 2.555194
H 1.622643 -0.415326 2.493385
H 2.043552 -2.827858 0.967995
H 0.556361 -3.536681 0.297367
H -1.131900 1.189795 0.466828
H -0.135553 1.368600 -1.021124
H 0.214684 -0.914686 -2.430891
H -0.580830 -2.364469 -1.714946
H 0.305194 -2.456729 2.646262
H -0.854314 -1.887200 1.411302
H 3.407631 -0.504286 1.158338
H 3.717640 -1.233889 -0.439627
H -2.572596 -1.233440 -1.971058
H -2.062643 0.437915 -2.337556
H 3.937834 0.993882 -1.485808
H 3.335621 1.793039 -0.005613
H -3.027953 -1.062918 1.015667
H -4.066929 1.700702 -2.152568
H 5.118778 3.171350 0.532527
H 5.964752 2.773229 -1.005134
H 6.793249 2.546242 0.575585
H 5.916915 -0.936288 -0.078910
H 7.240782 0.231216 0.165709
H 6.403008 0.154165 -1.426727
H -5.005779 -0.270288 2.360655
H -6.038261 2.498556 -0.827213
H -6.517084 1.514244 1.435964


