%chk=000004486.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004486

0 1
 O   0.8244000       6.234300       1.025600    
 O    5.581100      -3.360800      -1.169000    
 O    5.589000     -0.6398000       2.607200    
 O   -6.549600      -3.828100     -9.3999997E-02
 O   -7.199600      -2.783800       1.724100    
 N   8.6499996E-02   2.858600     -0.2620000    
 N    2.891400      0.5653000      -1.008200    
 N    4.255500      -1.450700      -1.122400    
 N    5.614000      -2.051200      0.7427000    
 N   -6.551900      -2.817700      0.6500000    
 C   -1.270600       2.922600     -0.8077000    
 C   0.9151000       1.954700      -1.050000    
 C   -2.082300       1.709900     -0.3551000    
 C   0.6793000       4.196700     -0.2189000    
 C    2.103800       1.472800     -0.2283000    
 C   -3.512100       1.769800     -0.8987000    
 C   0.2128000       4.951000       1.015900    
 C   -4.314900      0.5609000     -0.4910000    
 C    3.794100     -0.3135000     -0.4498000    
 C   -5.042900      0.5757000      0.6987000    
 C   -4.328300     -0.5734000      -1.302800    
 C    4.245800     -6.0199998E-02  0.7902000    
 C    5.176700      -2.360900     -0.5654000    
 C    5.211900     -0.9370000       1.475700    
 C    3.755300      -1.708700      -2.475100    
 C   -5.784500     -0.5436000       1.076500    
 C   -5.069800      -1.692700     -0.9250000    
 C   -5.798000      -1.677800      0.2646000    
 C    6.567900      -2.972400       1.352000    
 H   -1.800600       3.812900     -0.4493000    
 H   -1.256500       2.997100      -1.903200    
 H    1.251200       2.430700      -1.981900    
 H   0.3583000       1.063200      -1.362400    
 H   -2.108300       1.673100      0.7423000    
 H   -1.618400      0.7738000     -0.6853000    
 H   0.4586000       4.770800      -1.129500    
 H    1.774200       4.165700     -0.1724000    
 H    2.732800       2.310500      8.8799998E-02
 H    1.716600      0.9781000      0.6728000    
 H   -4.014300       2.679200     -0.5443000    
 H   -3.496900       1.843500      -1.993700    
 H  -0.8706000       5.099100       1.031700    
 H   0.5076000       4.423500       1.929500    
 H    2.649800      0.4242000      -1.982100    
 H   -5.038000       1.452900       1.340200    
 H   -3.763100     -0.5972000      -2.230800    
 H    3.947800      0.8094000       1.366800    
 H    2.664700      -1.800300      -2.447500    
 H    4.161900      -2.635600      -2.888400    
 H    4.052500     -0.8853000      -3.132300    
 H   -6.338900     -0.4965000       2.010300    
 H   -5.056300      -2.558800      -1.581800    
 H   0.5201000       6.689600       1.829100    
 H    7.469800      -3.003500      0.7324000    
 H    6.837500      -2.677500       2.368800    
 H    6.128500      -3.974900       1.370200    


%chk=000004486-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004486

0 1
O 0.982880 6.081484 0.965461
O 6.422077 -2.727586 -1.338331
O 5.138449 -1.332556 2.955234
O -7.077906 -3.673214 0.211245
O -7.386442 -2.568307 2.183234
N 0.030094 2.805329 -0.557766
N 2.856622 0.345512 -0.977308
N 4.654519 -1.195650 -1.142533
N 5.781402 -2.036334 0.800716
N -6.900600 -2.656969 0.989350
C -1.373384 2.853385 -1.031837
C 0.876115 1.801812 -1.228757
C -2.233438 1.688610 -0.495256
C 0.663278 4.139558 -0.405726
C 1.913707 1.208140 -0.251644
C -3.703876 1.783605 -0.995615
C 0.393408 4.733496 0.984253
C -4.559260 0.635498 -0.489860
C 3.813896 -0.413402 -0.330555
C -5.117278 0.670507 0.817164
C -4.790759 -0.511081 -1.296207
C 3.956912 -0.439015 1.053850
C 5.673128 -2.032215 -0.589823
C 4.949905 -1.258028 1.701933
C 4.511927 -1.209393 -2.609772
C -5.883455 -0.400904 1.312581
C -5.553609 -1.595675 -0.822263
C -6.090877 -1.524120 0.481388
C 6.828415 -2.905644 1.379917
H -1.814000 3.805624 -0.679857
H -1.433818 2.875551 -2.149814
H 1.407054 2.229253 -2.119564
H 0.235547 0.983297 -1.604090
H -2.204447 1.704008 0.610403
H -1.808265 0.715072 -0.808506
H 0.309271 4.861798 -1.175262
H 1.756834 4.050304 -0.535515
H 2.452212 2.026472 0.271074
H 1.382483 0.621359 0.520313
H -4.128934 2.749775 -0.659250
H -3.706695 1.798425 -2.102826
H -0.700008 4.779974 1.177618
H 0.859086 4.090915 1.759643
H 2.903061 0.450512 -1.990301
H -4.953606 1.551517 1.448553
H -4.373257 -0.548943 -2.308950
H 3.329852 0.170841 1.701264
H 3.500163 -1.540897 -2.907830
H 5.251405 -1.927964 -2.994055
H 4.732579 -0.217165 -3.048376
H -6.322145 -0.386240 2.313761
H -5.743687 -2.482149 -1.433083
H 0.916754 6.488411 1.864811
H 7.822337 -2.605608 1.008729
H 6.771237 -2.787322 2.472041
H 6.653237 -3.955959 1.093799


