%chk=000044273.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044273

0 1
 N   -4.689900      -2.135900     -3.0000001E-04
 C   0.9462000      0.3256000     -9.9999997E-05
 C   0.2926000     -0.9311000     -9.9999997E-05
 C   -1.111100      -1.009200       0.000000    
 C   -1.912600      0.1404000      9.9999997E-05
 C    2.386500      0.3685000     -9.9999997E-05
 C   -1.291400       1.402200       0.000000    
 C   0.1147000       1.474900     -9.9999997E-05
 C    3.116000     -0.8492000       0.000000    
 C    1.045200      -2.108600       0.000000    
 C    2.435400      -2.068700      9.9999997E-05
 C   -3.315800      6.0600001E-02  9.9999997E-05
 C   -1.719900      -2.388700      1.9999999E-04
 C   -2.090200       2.559000     -9.9999997E-05
 C    3.148200       1.564300     -1.9999999E-04
 C    4.521400     -0.8423000      9.9999997E-05
 C   -4.094800       1.217500      9.9999997E-05
 C   -3.482200       2.466200      3.0000001E-04
 C    4.545900       1.557400       0.000000    
 C    5.232600      0.3535000      9.9999997E-05
 C   -4.077100      -1.156400     -1.9999999E-04
 H   0.5624000       2.467300     -9.9999997E-05
 H   0.6673000      -3.119400       0.000000    
 H    2.984200      -3.009100      1.9999999E-04
 H   -2.298100      -2.535100      0.9187000    
 H   -2.297400      -2.535500     -0.9185000    
 H   -1.082700      -3.266200      1.0000000E-03
 H   -1.632100       3.546000     -9.9999997E-05
 H    2.665700       2.538200     -3.0000001E-04
 H    5.079300      -1.777100      1.9999999E-04
 H   -5.181700       1.168800      9.9999997E-05
 H   -4.086100       3.368800      3.0000001E-04
 H    5.092000       2.496200       0.000000    
 H    6.318300      0.3428000      1.9999999E-04


%chk=000044273-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044273

0 1
N -5.077085 -1.958614 -0.000646
C 0.952133 0.264072 0.000076
C 0.296859 -1.041624 0.000118
C -1.132898 -1.149038 0.000209
C -1.939350 0.043348 0.000084
C 2.423376 0.359128 0.000029
C -1.271875 1.339432 0.000078
C 0.143841 1.410870 0.000104
C 3.206854 -0.845987 -0.000008
C 1.154109 -2.216466 0.000039
C 2.529518 -2.123709 -0.000024
C -3.399609 0.074352 -0.000055
C -1.806278 -2.511502 0.000502
C -2.029376 2.559364 0.000060
C 3.119724 1.604630 0.000012
C 4.631764 -0.775743 -0.000051
C -4.101477 1.297662 -0.000074
C -3.420198 2.546451 0.000016
C 4.522631 1.659302 -0.000026
C 5.289373 0.461602 -0.000057
C -4.259858 -1.083157 -0.000306
H 0.593140 2.408508 0.000127
H 0.708089 -3.212566 -0.000028
H 3.139395 -3.034957 -0.000100
H -2.451615 -2.642849 0.886579
H -2.450942 -2.643608 -0.885961
H -1.091545 -3.343606 0.001167
H -1.482778 3.509514 0.000079
H 2.564841 2.547340 0.000030
H 5.206966 -1.709087 -0.000078
H -5.195849 1.274131 -0.000186
H -3.993252 3.478388 0.000009
H 5.028706 2.630747 -0.000035
H 6.383464 0.509375 -0.000086


