%chk=000025813.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025813

0 1
 O   -2.097300     -0.2191000      0.2598000    
 O   -4.166900     -1.6200000E-02 -0.7276000    
 N   0.3785000       1.275900      0.4417000    
 N   0.8675000       2.216900     -0.3828000    
 N    1.933500       1.704000     -0.9877000    
 N   -3.106700      -2.051600     -0.5861000    
 C  -0.7899000       1.548900       1.241300    
 C    1.114300      0.1273000      0.3937000    
 C    2.106900      0.4247000     -0.5299000    
 C   -2.083700       1.176600      0.5298000    
 C    1.010800      -1.099500       1.046000    
 C    3.071300     -0.5446000     -0.8422000    
 C    1.978800      -2.057800      0.7257000    
 C    2.990800      -1.787500     -0.2006000    
 C   -3.208000     -0.6979000     -0.3811000    
 H  -0.6882000      0.9829000       2.173900    
 H  -0.7831000       2.614700       1.494900    
 H   -2.934900       1.431300       1.171700    
 H   -2.169100       1.730100     -0.4132000    
 H   0.2273000      -1.310600       1.764300    
 H    3.860000     -0.3438000      -1.559700    
 H    1.942700      -3.032100       1.207100    
 H    3.727700      -2.553900     -0.4274000    
 H   -2.291200      -2.572200     -0.2808000    
 H   -3.843400      -2.572700      -1.049600    


%chk=000025813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025813

0 1
O -2.141707 -0.245336 0.294737
O -4.364721 -0.085215 -0.481568
N 0.403173 1.290410 0.483858
N 1.048020 2.332942 -0.251566
N 2.153030 1.823497 -0.807163
N -3.203221 -2.128897 -0.413057
C -0.842224 1.588893 1.192750
C 1.128792 0.114661 0.377722
C 2.249478 0.462789 -0.446130
C -2.105072 1.231450 0.405602
C 0.964504 -1.189872 0.903067
C 3.240895 -0.495916 -0.768487
C 1.962040 -2.127817 0.580778
C 3.083505 -1.790213 -0.243921
C -3.345217 -0.772029 -0.234178
H -0.842479 1.061210 2.163088
H -0.844699 2.675492 1.385837
H -3.008223 1.584497 0.935648
H -2.088264 1.674453 -0.605839
H 0.100131 -1.456404 1.517303
H 4.092416 -0.224624 -1.399140
H 1.881239 -3.149275 0.969535
H 3.829596 -2.560282 -0.466393
H -2.311230 -2.584276 -0.235124
H -3.992061 -2.656337 -0.776159


