%chk=000051708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051708

0 1
 N    4.266600      0.1568000     -0.1796000    
 N    5.398700      -1.698800     -0.3797000    
 N    4.050800      -1.985800     -0.5026000    
 N  -0.2209000     -0.5831000      0.7508000    
 N   -2.979500     -0.1433000      0.3514000    
 C    3.986700       1.568300     -4.2300001E-02
 C    5.188200       2.340300      0.5073000    
 C    6.484200       1.898700     -0.1804000    
 C    6.742400      0.4037000      3.5999998E-02
 C    5.514500     -0.4012000     -0.1883000    
 C    3.388400     -0.8562000     -0.3807000    
 C    1.928100     -0.6725000     -0.4563000    
 C    1.210700     -0.8023000      0.9035000    
 C  -0.7761000      0.6951000      0.8335000    
 C   -1.090000      -1.630500      0.4397000    
 C   -2.093900      0.9068000      0.6490000    
 C   -2.407900      -1.423200      0.2508000    
 C   -4.382900      8.0300003E-02  0.1557000    
 C   -4.906700      0.3656000      -1.114500    
 C   -5.258200      1.4900000E-02   1.250000    
 C   -6.274300      0.5802000      -1.285800    
 C   -4.009400      0.4445000      -2.306600    
 C   -6.625700      0.2295000       1.078600    
 C   -7.133700      0.5122000     -0.1892000    
 H    3.125400       1.693400      0.6211000    
 H    3.722300       1.935000      -1.040600    
 H    5.276300       2.164000       1.586800    
 H    5.031800       3.415500      0.3682000    
 H    7.331100       2.478400      0.2034000    
 H    6.411100       2.109000      -1.255200    
 H    7.085900      0.2372000       1.064000    
 H    7.541600      6.6200003E-02 -0.6328000    
 H    1.520300      -1.425200      -1.144100    
 H    1.685800      0.2952000     -0.9130000    
 H    1.402500      -1.795300       1.331600    
 H    1.630200     -8.4799998E-02   1.620800    
 H  -7.9000004E-02   1.493700       1.055900    
 H  -0.6329000      -2.609200      0.3609000    
 H   -2.544300       1.890300      0.7122000    
 H   -3.098900      -2.222600      9.9999998E-03
 H   -4.876800     -0.2045000       2.244500    
 H   -6.687300      0.8016000      -2.266400    
 H   -3.262700       1.234400      -2.176500    
 H   -3.503100     -0.5118000      -2.472900    
 H   -4.568000      0.6765000      -3.220200    
 H   -7.295000      0.1765000       1.932300    
 H   -8.198600      0.6794000     -0.3225000    


%chk=000051708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051708

0 1
N 4.137291 0.383958 -0.232922
N 5.196633 -1.433615 -1.039725
N 3.786224 -1.676911 -1.068721
N -0.219467 -0.853682 1.220634
N -2.858401 -0.086107 0.264592
C 3.937399 1.772109 0.231838
C 5.259394 2.340229 0.794800
C 6.443039 2.049617 -0.159345
C 6.672793 0.521712 -0.290651
C 5.374296 -0.192044 -0.539785
C 3.173406 -0.567921 -0.588464
C 1.698983 -0.416826 -0.390387
C 1.232429 -0.945556 1.010610
C -0.799555 0.426073 1.487356
C -1.074427 -1.752235 0.503064
C -2.049388 0.777696 1.072278
C -2.315974 -1.401563 0.067386
C -4.233746 0.202866 0.018760
C -4.849151 -0.137849 -1.231772
C -5.000752 0.863960 1.021680
C -6.222177 0.165123 -1.403021
C -4.065861 -0.731174 -2.392380
C -6.358650 1.172189 0.811714
C -6.984409 0.810946 -0.403631
H 3.144632 1.789398 1.001630
H 3.592404 2.390208 -0.620655
H 5.466746 1.889926 1.785098
H 5.136240 3.428103 0.946906
H 7.362313 2.533031 0.217087
H 6.230511 2.485977 -1.155366
H 7.130911 0.135414 0.641692
H 7.376167 0.287033 -1.107994
H 1.183568 -1.005930 -1.169109
H 1.380166 0.636645 -0.505245
H 1.544569 -2.001861 1.103558
H 1.740932 -0.380349 1.815682
H -0.203571 1.110506 2.096267
H -0.708012 -2.774079 0.380986
H -2.470547 1.753619 1.314363
H -2.983353 -2.137973 -0.377857
H -4.534883 1.096263 1.985608
H -6.693582 -0.087526 -2.361147
H -3.019858 -0.377909 -2.392706
H -4.035920 -1.838141 -2.369892
H -4.529987 -0.441527 -3.351062
H -6.929917 1.672378 1.602032
H -8.041654 1.038697 -0.575985


