%chk=000003784.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003784

0 1
 O    2.672600      0.6347000     -2.2700001E-02
 O   -3.252600     -0.8355000      0.5286000    
 O    2.339800       2.258900       1.592900    
 O  -0.1394000      -1.858100      -2.801400    
 O   -3.453800      0.8381000       2.115500    
 N   -1.074400       2.488800      -1.291800    
 N  -0.3127000     -0.8225000      -1.899200    
 N   0.2104000      -3.039200      -2.169800    
 C  -0.4405000      0.7015000      0.8132000    
 C   0.5968000       1.599100      0.1287000    
 C   -1.873800      0.9895000      0.3553000    
 C  -0.1063000     -0.7427000      0.5719000    
 C   0.2484000       2.427000     -0.8826000    
 C   -2.124900       1.830400     -0.6733000    
 C  -7.2700001E-02  -1.345700     -0.6904000    
 C    1.964300       1.557600      0.6717000    
 C   0.2005000      -1.586200       1.646300    
 C    1.191300       3.318200      -1.645000    
 C   -2.952600      0.3450000       1.121900    
 C   -3.486700       2.141300      -1.233400    
 C   0.2597000      -2.754900     -0.8623000    
 C   0.5245000      -2.958300       1.478900    
 C   0.5668000      -3.593900      0.2245000    
 C    4.033300      0.4762000      0.3918000    
 C    4.066400      7.8500003E-02   1.859600    
 C    4.708500     -0.5615000     -0.4920000    
 C   -4.293100      -1.586300       1.162900    
 H  -0.3971000      0.9269000       1.888500    
 H   -1.299000       3.113400      -2.058300    
 H   0.1966000      -1.190500       2.661100    
 H   0.8922000       4.366100      -1.535700    
 H    1.173500       3.063300      -2.710000    
 H    2.227400       3.233900      -1.304900    
 H   -3.698400       3.211900      -1.140000    
 H   -4.290700       1.600900     -0.7260000    
 H   -3.528600       1.872300      -2.294300    
 H   0.7520000      -3.546600       2.366800    
 H   0.8162000      -4.641800      0.1164000    
 H    4.558100       1.429900      0.2522000    
 H    5.046500     -0.3345000       2.123900    
 H    3.908300      0.9190000       2.539300    
 H    3.306700     -0.6775000       2.086100    
 H    5.761700     -0.6913000     -0.2254000    
 H    4.647800     -0.2630000      -1.544100    
 H    4.202300      -1.529900     -0.4110000    
 H   -4.440400      -2.508800      0.5952000    
 H   -5.227800      -1.017300       1.158100    
 H   -4.003000      -1.845800       2.185500    


%chk=000003784-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003784

0 1
O 3.066133 1.422392 0.153316
O -4.202305 0.794910 0.944758
O 2.054159 0.295769 1.923246
O -0.516816 -2.657333 -2.818851
O -2.686972 -0.182334 2.411486
N -0.858519 1.555895 -1.665121
N -0.547161 -1.509210 -1.935209
N -0.332136 -3.892851 -2.097160
C -0.461934 0.141971 0.749323
C 0.683188 0.879344 0.033260
C -1.849009 0.634490 0.303501
C -0.330993 -1.382105 0.588020
C 0.457414 1.481093 -1.192374
C -2.006221 1.238088 -0.931931
C -0.383688 -2.045696 -0.691928
C 1.954845 0.828710 0.779567
C -0.149139 -2.213744 1.692042
C 1.458081 2.095892 -2.144629
C -2.902870 0.371274 1.296079
C -3.284549 1.643356 -1.631117
C -0.252556 -3.498658 -0.795927
C -0.019947 -3.649831 1.589389
C -0.067897 -4.312625 0.367386
C 4.372267 1.354484 0.904334
C 5.013960 -0.020463 0.667989
C 5.202293 2.527772 0.377002
C -5.240170 0.520621 1.964892
H -0.363423 0.328168 1.831790
H -0.991865 1.880370 -2.623937
H -0.103719 -1.750707 2.681964
H 1.146069 3.116398 -2.437948
H 1.516526 1.480949 -3.064692
H 2.453745 2.139074 -1.691281
H -3.372554 2.745883 -1.679855
H -4.162369 1.252687 -1.105714
H -3.279729 1.257405 -2.669282
H 0.119588 -4.225487 2.510635
H 0.028243 -5.397453 0.278821
H 4.134626 1.478743 1.976799
H 5.984689 -0.078978 1.194120
H 4.363975 -0.822832 1.054053
H 5.191501 -0.186799 -0.409584
H 6.173764 2.565013 0.902553
H 4.679659 3.485553 0.542532
H 5.398483 2.416117 -0.704502
H -6.176454 0.880843 1.514194
H -5.014064 1.063742 2.897944
H -5.292050 -0.559299 2.183247


