%chk=000100727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100727

0 1
 O   0.4395000       1.420400      3.0000001E-04
 O   -2.735600     -0.2332000     -1.9999999E-04
 O  -0.4460000      -1.983800      2.3000001E-03
 O   -2.207200       2.000500      1.6000000E-03
 N  -0.5433000      0.3874000      1.6000000E-03
 C    1.481500     -0.6219000      3.0000001E-04
 C    1.632400      0.7506000     -3.9999999E-04
 C   5.6200001E-02 -0.8758000      1.3000000E-03
 C    2.553500      -1.489900      3.0000001E-04
 C    2.883400       1.330200     -1.5000000E-03
 C    3.828600     -0.9209000     -7.9999998E-04
 C    3.992500      0.4781000     -1.8000000E-03
 C   -1.863900      0.8210000      1.3000000E-03
 C   -4.126900      0.1057000     -1.4000000E-03
 C   -4.944600      -1.168300     -3.1000001E-03
 H    2.421700      -2.565400      1.1000000E-03
 H    3.010100       2.406700     -2.2000000E-03
 H    4.705800      -1.562300     -8.9999998E-04
 H    4.994600      0.8989000     -2.6000000E-03
 H   -4.359900      0.6939000      0.8931000    
 H   -4.358000      0.6950000     -0.8957000    
 H   -6.015400     -0.9459000     -4.1000000E-03
 H   -4.708700      -1.776300     -0.8826000    
 H   -4.710500      -1.777500      0.8762000    


%chk=000100727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100727

0 1
O 0.435842 1.428218 -0.000545
O -2.760097 -0.228561 -0.001143
O -0.552424 -2.061847 -0.000780
O -2.195947 2.054332 -0.000787
N -0.561150 0.352628 -0.000693
C 1.497284 -0.660223 -0.000499
C 1.669283 0.737184 -0.000425
C 0.054964 -0.968656 -0.000707
C 2.621882 -1.513374 -0.000381
C 2.925597 1.363413 -0.000242
C 3.900423 -0.918424 -0.000201
C 4.044254 0.499281 -0.000134
C -1.892099 0.844938 -0.000836
C -4.216950 0.134210 -0.001327
C -4.980313 -1.184259 -0.001422
H 2.487151 -2.599371 -0.000436
H 3.028700 2.451275 -0.000186
H 4.795716 -1.547869 -0.000112
H 5.048856 0.935420 0.000010
H -4.418257 0.747103 0.895524
H -4.418023 0.747092 -0.898238
H -6.067085 -0.982756 -0.001552
H -4.733797 -1.781276 -0.895189
H -4.734009 -1.781278 0.892403


