%chk=000100648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100648

0 1
 O    3.314600      -1.169100      3.0500000E-02
 O   -1.247500      -2.455300       1.096800    
 N   0.9004000      2.3200000E-02  8.2000000E-03
 N   -1.242100      -2.447900      -1.182700    
 C  -0.4256000      0.5109000      6.0000001E-03
 C   -1.511000     -0.3651000      2.3800001E-02
 C    2.041600      0.8829000     -9.2000002E-03
 C  -0.6419000       1.888900     -1.3800000E-02
 C   -2.812500      0.1369000      2.1800000E-02
 C   -1.943300       2.390800     -1.5699999E-02
 C    3.311900      6.1000001E-02  4.4999998E-03
 C   -3.028500       1.514800      2.0999999E-03
 C   -1.319000      -1.809800      4.4900000E-02
 C    4.602900      0.8377000     -1.7300000E-02
 H    1.035200     -0.9813000      1.9500000E-02
 H    2.061000       1.526600      0.8771000    
 H    2.057900       1.493700     -0.9186000    
 H   0.1710000       2.608500     -2.8300000E-02
 H   -3.667000     -0.5351000      3.5900000E-02
 H   -2.112300       3.463600     -3.1199999E-02
 H   -4.041800       1.905700      6.0000003E-04
 H    4.658000       1.481900      0.8637000    
 H    5.450000      0.1462000     -2.4999999E-03
 H    4.653700       1.438800     -0.9284000    
 H   -1.306800      -1.941800      -2.060300    
 H   -1.116600      -3.453000      -1.241300    


%chk=000100648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100648

0 1
O 3.496695 -1.090479 -0.101523
O 0.066648 -2.326546 -0.676686
N 1.017879 0.073055 -0.139424
N -2.194752 -2.728152 -0.605216
C -0.288707 0.517927 -0.149296
C -1.391693 -0.396506 -0.375441
C 2.152224 0.932827 0.117356
C -0.594226 1.902948 0.068504
C -2.713696 0.125073 -0.412519
C -1.915136 2.373302 0.040677
C 3.471927 0.153351 0.072595
C -2.993463 1.487799 -0.209803
C -1.121048 -1.851009 -0.562535
C 4.741218 0.981285 0.224803
H 1.170987 -0.937121 -0.334411
H 2.094057 1.424202 1.117138
H 2.234276 1.767334 -0.618261
H 0.218783 2.611098 0.253449
H -3.556467 -0.542299 -0.629055
H -2.109467 3.439252 0.206940
H -4.022646 1.856965 -0.250349
H 4.554981 1.950851 0.717673
H 5.496439 0.410212 0.789156
H 5.161593 1.183126 -0.779447
H -3.157297 -2.450804 -0.436725
H -1.976809 -3.713993 -0.741499


