%chk=000009444.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009444

0 1
 O   -1.361000     -0.5442000       1.019700    
 O   -1.225800       2.352000      -1.090500    
 O   -3.394700       1.557800      0.3599000    
 O   -2.333400      -3.067600      0.2750000    
 O    1.539900       2.298600      0.7076000    
 N   0.7200000      0.1982000      0.2563000    
 N    3.045600      0.6838000      0.1553000    
 N    2.263200      -1.488900     -0.3176000    
 N    4.562000     -0.9798000     -0.4099000    
 C   -1.357600      0.9761000     -0.7980000    
 C   -2.789100      0.5875000     -0.4940000    
 C   -2.608400     -0.6947000      0.3070000    
 C  -0.6446000      0.5801000      0.4835000    
 C   -2.509600      -1.939800     -0.5642000    
 C    1.760800       1.129100      0.3911000    
 C    1.058100      -1.088800     -0.1008000    
 C    3.274400     -0.5592000     -0.1803000    
 H  -0.9913000      0.4013000      -1.657200    
 H   -3.418200      0.4863000      -1.382100    
 H  -0.6756000       1.388100       1.223900    
 H   -3.390200     -0.8285000       1.063300    
 H   -1.671500      -1.897000      -1.264300    
 H   -3.433200      -2.077300      -1.135900    
 H  -0.2769000       2.540000      -1.188100    
 H   -2.911100       1.585000       1.202300    
 H   0.2319000      -1.798900     -0.1987000    
 H   -2.284700      -3.849200     -0.3014000    
 H    4.763200      -1.938900     -0.6709000    
 H    5.346400     -0.3428000     -0.3243000    


%chk=000009444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009444

0 1
O -1.416539 -0.585353 1.159013
O -1.425218 2.570660 -0.552380
O -3.582436 1.449307 0.503608
O -1.910199 -3.083872 0.010971
O 1.265021 2.247008 -0.289169
N 0.737491 0.039307 0.290994
N 2.969863 0.626076 -0.395124
N 2.354272 -1.704256 0.145542
N 4.527319 -1.111198 -0.477231
C -1.391132 1.125111 -0.572551
C -2.835683 0.583169 -0.393416
C -2.610969 -0.783673 0.281208
C -0.634443 0.523551 0.656167
C -2.372636 -1.909562 -0.736421
C 1.684538 1.053136 -0.152268
C 1.117674 -1.277794 0.409526
C 3.251349 -0.691961 -0.240035
H -0.941524 0.742559 -1.511356
H -3.355834 0.491950 -1.369215
H -0.517226 1.285379 1.448934
H -3.435249 -1.043423 0.963100
H -1.618196 -1.604981 -1.494960
H -3.333124 -2.110067 -1.257729
H -0.462280 2.855696 -0.482209
H -3.198055 2.363900 0.388162
H 0.343494 -1.982699 0.731646
H -1.907051 -3.874943 -0.583973
H 4.755472 -2.095879 -0.360200
H 5.229902 -0.428847 -0.753934


