%chk=000025887.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025887

0 1
 O   -2.597700     -9.6000001E-02  0.7277000    
 O   -1.156200      -2.386400      0.1362000    
 O   -1.391000       2.385000      0.4813000    
 N    4.468500      0.2278000       1.041100    
 C    1.352500      0.1887000     -0.5232000    
 C   -1.300900     -2.6000000E-03  0.3169000    
 C  -0.5784000      -1.158100      1.9800000E-02
 C  -0.6966000       1.248600      0.1943000    
 C   0.7483000      -1.062500     -0.4003000    
 C   0.6301000       1.344200     -0.2259000    
 C    2.771000      0.2909000     -0.9725000    
 C   -3.517500     -0.7138000     -0.1694000    
 C  -0.3479000      -3.516000     -0.1871000    
 C   -2.108700       2.994100     -0.5901000    
 C    3.724400      0.2562000      0.1512000    
 H    1.359600      -1.925200     -0.6433000    
 H    1.096200       2.322400     -0.3178000    
 H    2.913500       1.216100      -1.545100    
 H    3.000500     -0.5206000      -1.674500    
 H   -3.638600      -1.770100      8.6400002E-02
 H   -3.210500     -0.6071000      -1.215800    
 H   -4.487600     -0.2229000     -4.7600001E-02
 H   0.5073000      -3.608300      0.4910000    
 H  -4.8000000E-02  -3.510100      -1.240600    
 H  -0.9670000      -4.407100     -3.9200000E-02
 H   -2.862800       2.309000     -0.9896000    
 H   -1.422000       3.301800      -1.385100    
 H   -2.614500       3.882500     -0.2020000    


%chk=000025887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025887

0 1
O -2.626883 0.136225 0.308059
O -1.130609 -2.196363 0.235805
O -1.247032 2.689308 -0.216704
N 4.367190 -1.834191 -0.921702
C 1.567237 0.336260 -0.391323
C -1.254640 0.180387 -0.010425
C -0.442195 -0.995889 -0.003265
C -0.620442 1.439072 -0.217671
C 0.954656 -0.923193 -0.200627
C 0.784911 1.504093 -0.398468
C 3.084754 0.475335 -0.572461
C -3.493889 -0.657403 -0.589844
C -0.334378 -3.422536 0.359542
C -2.685308 2.828393 -0.505824
C 3.795892 -0.798091 -0.768800
H 1.566038 -1.829474 -0.199737
H 1.227136 2.493673 -0.553315
H 3.523194 0.976737 0.313682
H 3.301848 1.129146 -1.439156
H -3.185856 -1.715363 -0.589373
H -3.460372 -0.250221 -1.620298
H -4.508636 -0.551728 -0.176306
H 0.395758 -3.341170 1.186784
H 0.195648 -3.656709 -0.583395
H -1.064257 -4.214263 0.583282
H -3.297955 2.430539 0.317108
H -2.952419 2.314115 -1.448901
H -2.833391 3.913813 -0.619870


