%chk=000001226.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001226

0 1
 O   -2.092300       1.460100       1.044100    
 O   -1.898500      -1.575200     -0.7437000    
 O   -1.494500       1.747800      -1.136700    
 O  -0.6063000      -2.460400      0.9123000    
 N    1.531100      -1.226200     -0.1774000    
 C   2.6900001E-02  0.6690000      0.4040000    
 C   0.2215000     -0.6152000     -0.4143000    
 C    1.183300       1.648900      0.1886000    
 C    2.526000      0.9569000      0.3888000    
 C    2.624700     -0.3008000     -0.4681000    
 C   -1.246500       1.347200     -9.1000004E-03
 C  -0.7755000      -1.652100      1.1400000E-02
 H  -2.7799999E-02  0.4211000       1.473500    
 H   0.1069000     -0.4339000      -1.491100    
 H    1.094000       2.497200      0.8779000    
 H    1.146700       2.069700     -0.8250000    
 H    3.339000       1.645400      0.1324000    
 H    2.649800      0.6953000       1.447300    
 H    2.625300     -3.8600001E-02  -1.533100    
 H    3.576400     -0.8020000     -0.2607000    
 H    1.633200      -2.055500     -0.7627000    
 H   -2.931500       1.902200      0.7941000    
 H   -2.563800      -2.246200     -0.4805000    


%chk=000001226-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001226

0 1
O -2.016063 1.825369 1.009857
O -1.998026 -1.368490 0.149548
O -1.696234 1.453021 -1.258368
O -0.492419 -3.008741 -0.489835
N 1.584293 -1.195608 -0.137071
C -0.028225 0.616625 0.363866
C 0.255521 -0.663011 -0.473120
C 1.142865 1.634952 0.158776
C 2.516436 0.993859 0.451605
C 2.702515 -0.276815 -0.403340
C -1.311805 1.294923 -0.077401
C -0.744955 -1.802750 -0.274620
H -0.099834 0.350378 1.431473
H 0.155918 -0.363278 -1.551594
H 0.974592 2.512906 0.808862
H 1.118020 1.991905 -0.890718
H 3.320747 1.721230 0.231592
H 2.586354 0.717119 1.520210
H 2.771395 0.019884 -1.481391
H 3.645038 -0.786727 -0.135623
H 1.709322 -2.160980 -0.463017
H -2.827823 2.293054 0.671395
H -2.619532 -2.144121 0.210916


