%chk=000100294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100294

0 1
 N    1.005100       1.682000      0.1001000    
 N   0.9838000      -1.843200     -0.1116000    
 N   -1.523500      -1.985400     -0.1200000    
 C  -0.5092000      7.9700001E-02  3.5000001E-03
 C   0.7814000     -0.5076000     -3.1800002E-02
 C    1.710500      0.4973000      2.8800000E-02
 C  -0.3547000       1.438100      8.5000001E-02
 C   -1.699600     -0.6320000     -3.9099999E-02
 C    3.152400      0.4611000      2.7799999E-02
 C   -1.312500       2.559800      0.1522000    
 C   -3.026300     -9.4400004E-02 -6.3999998E-03
 C  -0.2331000      -2.482700     -0.1501000    
 C    3.824000     -0.6358000      0.5680000    
 C    3.875800       1.524200     -0.5126000    
 C   -3.686800      0.2460000      -1.195800    
 C   -3.686100      0.1001000       1.215700    
 C  -0.1482000      -3.973200     -0.2379000    
 C    5.218500     -0.6696000      0.5678000    
 C    5.270300       1.490600     -0.5130000    
 C   -4.979400      0.7696000      -1.163700    
 C   -4.978600      0.6235000       1.247800    
 C    5.941500      0.3936000      2.7200000E-02
 C   -5.625200      0.9583000      5.7999998E-02
 H    1.417000       2.602400      0.1691000    
 H   -1.945900       2.483300       1.040600    
 H  -0.7960000       3.524600      0.2098000    
 H   -1.946100       2.589800     -0.7388000    
 H    3.294500      -1.471500       1.016400    
 H    3.384300       2.387900     -0.9534000    
 H   -3.198800      0.1062000      -2.158000    
 H   -3.197500     -0.1548000       2.153800    
 H   0.8711000      -4.301500     -0.4645000    
 H  -0.4523000      -4.417200      0.7146000    
 H  -0.8087000      -4.343700      -1.027900    
 H    5.741600      -1.521300      0.9927000    
 H    5.833800       2.316900     -0.9364000    
 H   -5.482800       1.030600      -2.090000    
 H   -5.481500      0.7709000       2.199100    
 H    7.027300      0.3676000      2.7400000E-02
 H   -6.631500       1.366100      8.2999997E-02


%chk=000100294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100294

0 1
N 1.082296 1.810581 0.091260
N 0.891093 -1.762895 -0.172295
N -1.542442 -1.902348 -0.347186
C -0.551012 0.283345 -0.050094
C 0.752857 -0.393884 -0.032542
C 1.771505 0.589426 0.081680
C -0.299346 1.681022 0.001879
C -1.708756 -0.569593 -0.155427
C 3.229176 0.490983 0.149504
C -1.168951 2.904952 -0.086678
C -3.119111 -0.102654 -0.031774
C -0.257027 -2.445309 -0.364256
C 3.859969 -0.786178 0.056584
C 4.058771 1.641174 0.310487
C -4.127927 -0.710768 -0.826190
C -3.495480 0.882587 0.919677
C -0.183875 -3.934941 -0.589847
C 5.262594 -0.898147 0.118221
C 5.462104 1.521248 0.369998
C -5.475614 -0.316827 -0.697459
C -4.847303 1.265449 1.059451
C 6.075468 0.250412 0.273278
C -5.840969 0.675095 0.244359
H 1.551216 2.715801 0.126126
H -1.425289 3.321191 0.907794
H -0.665214 3.705340 -0.661428
H -2.117323 2.673997 -0.595126
H 3.226123 -1.669918 -0.063845
H 3.622825 2.645366 0.401791
H -3.833781 -1.496250 -1.529031
H -2.735570 1.316135 1.578495
H 0.865011 -4.267444 -0.593597
H -0.738950 -4.471933 0.200540
H -0.660087 -4.201266 -1.550983
H 5.725961 -1.888632 0.044106
H 6.077883 2.419285 0.494856
H -6.242471 -0.785524 -1.324190
H -5.126360 2.013635 1.809845
H 7.166035 0.157902 0.319963
H -6.889431 0.975882 0.349453


