%chk=000028689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028689

0 1
 O   0.5215000      0.9216000     -0.8709000    
 O  -0.5541000      0.7457000       2.588200    
 O   -5.704400       1.364100     -0.5522000    
 O   0.9975000      -5.266200     -0.3519000    
 N    1.480900       1.326300       1.737100    
 C  -0.1705000      0.2759000      0.2141000    
 C   -1.674400      0.5718000      6.0999999E-03
 C   0.1471000      -1.229500      6.0400002E-02
 C   0.2064000      0.8200000       1.621400    
 C    1.815600       1.286500     -0.6437000    
 C    2.315500       1.499500      0.6338000    
 C   -2.621100     -0.3939000      0.3350000    
 C  -0.1246000      -1.875100      -1.142800    
 C   -2.072200       1.802200     -0.5091000    
 C   0.7030000      -1.932300       1.126200    
 C    2.625900       1.509200      -1.756700    
 C    3.631300       1.929400      0.8139000    
 C   -3.977300     -0.1272000      0.1471000    
 C   0.1615000      -3.233200      -1.281400    
 C   -3.428400       2.069200     -0.6970000    
 C   0.9894000      -3.290500      0.9876000    
 C   -4.381000       1.104400     -0.3688000    
 C   0.7186000      -3.941000     -0.2163000    
 C    3.945500       1.926900      -1.582300    
 C    4.448000       2.136300     -0.2979000    
 H    1.823000       1.598500       2.654000    
 H   -2.349900      -1.352400      0.7663000    
 H  -0.5544000      -1.339500      -1.985000    
 H   -1.350000       2.574200     -0.7591000    
 H   0.9308000      -1.475200       2.082600    
 H    2.237900       1.359200      -2.760500    
 H    4.029000       2.106600       1.809600    
 H   -4.715200     -0.8800000      0.4104000    
 H  -5.3399999E-02  -3.728100      -2.224800    
 H   -3.730200       3.033600      -1.096800    
 H    1.422800      -3.837200       1.820800    
 H    4.580100       2.095500      -2.447500    
 H    5.473700       2.467200     -0.1639000    
 H   -5.801900       2.260700     -0.9163000    
 H   0.7467000      -5.550900      -1.247600    


%chk=000028689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028689

0 1
O 0.427669 1.158235 -0.847846
O -0.567489 0.881127 2.653851
O -5.910452 1.268096 -0.445173
O 1.188749 -5.204100 -0.318843
N 1.490328 1.369838 1.704918
C -0.255461 0.360325 0.241266
C -1.750658 0.601276 0.014093
C 0.153997 -1.116729 0.110246
C 0.179651 0.910257 1.637694
C 1.815993 1.334365 -0.697430
C 2.374350 1.454529 0.600833
C -2.704607 -0.383893 0.368039
C 0.205591 -1.693003 -1.183184
C -2.205000 1.840816 -0.495748
C 0.438423 -1.933555 1.232943
C 2.621812 1.482634 -1.839909
C 3.755900 1.705567 0.750711
C -4.083103 -0.146529 0.211043
C 0.550830 -3.046874 -1.357951
C -3.582546 2.088965 -0.665030
C 0.779259 -3.291432 1.072811
C -4.521968 1.092214 -0.307227
C 0.838287 -3.847248 -0.224287
C 4.002620 1.747444 -1.687839
C 4.568563 1.853957 -0.395289
H 1.815679 1.659109 2.632139
H -2.370735 -1.344302 0.772626
H -0.017736 -1.068327 -2.054222
H -1.476139 2.605047 -0.779171
H 0.378307 -1.518391 2.244938
H 2.160330 1.395530 -2.828244
H 4.189702 1.791627 1.754222
H -4.826371 -0.900641 0.484942
H 0.593618 -3.477388 -2.367058
H -3.921094 3.051827 -1.070084
H 0.998452 -3.929440 1.933759
H 4.632990 1.863316 -2.575347
H 5.638849 2.051671 -0.277907
H -6.116934 2.168629 -0.799011
H 1.199043 -5.502250 -1.262175


