%chk=000051826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051826

0 1
 I   -2.555400      -2.895200      0.4883000    
 O    2.685900      0.7632000       1.136200    
 O    4.185900     -0.8991000     -0.3489000    
 C   0.6074000      0.2348000      9.2399999E-02
 C   -1.603600     -0.9905000      0.1505000    
 C   -1.223100      0.8571000      -1.529700    
 C   -1.465500       1.412800      0.9184000    
 C  -7.5800002E-02  -1.127000      0.3337000    
 C   0.2961000      0.7102000      -1.340200    
 C   5.4900002E-02   1.263000       1.098200    
 C   -1.898700     -0.5042000      -1.285400    
 C   -2.141200      5.0299998E-02   1.157500    
 C   -1.763000       1.880600     -0.5163000    
 C    2.092200      0.1080000      0.2811000    
 C    2.803900     -0.8640000     -0.6357000    
 H   -1.437600       1.198300      -2.548800    
 H   -1.851900       2.147100       1.634000    
 H   0.2983000      -1.885000     -0.3652000    
 H   0.1657000      -1.495000       1.340500    
 H   0.6671000      1.3000000E-03  -2.089300    
 H   0.7952000       1.666800      -1.543500    
 H   0.5358000       2.240500      0.9584000    
 H   0.2713000      0.9535000       2.129400    
 H   -2.980500     -0.4093000      -1.447600    
 H   -1.535300      -1.231000      -2.023800    
 H   -1.952900     -0.2753000       2.189000    
 H   -3.229200      0.1596000       1.058200    
 H   -1.302800       2.860400     -0.6933000    
 H   -2.844100       2.007400     -0.6521000    
 H    2.703200     -0.5474000      -1.674600    
 H    2.417100      -1.877000     -0.5158000    
 H    4.290100      -1.262800      0.5470000    


%chk=000051826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051826

0 1
I -2.650999 -2.968603 0.313711
O 2.862177 1.023358 0.587513
O 4.272673 -1.058632 -0.286798
C 0.613269 0.206788 0.063123
C -1.631367 -0.951418 0.059038
C -1.240710 0.958836 -1.522088
C -1.455888 1.383297 0.960779
C -0.112002 -1.172925 0.226505
C 0.291565 0.776056 -1.368149
C 0.073306 1.203098 1.130320
C -1.952676 -0.419414 -1.353359
C -2.171380 0.006943 1.139635
C -1.764071 1.949541 -0.450219
C 2.135043 0.078745 0.162305
C 2.835109 -1.199547 -0.315651
H -1.456575 1.347052 -2.536240
H -1.830174 2.079140 1.735835
H 0.241540 -1.897065 -0.530362
H 0.100471 -1.597626 1.225335
H 0.670382 0.086097 -2.148112
H 0.808300 1.745564 -1.500123
H 0.596661 2.170406 1.026812
H 0.305314 0.821051 2.143750
H -3.044763 -0.303412 -1.477485
H -1.602060 -1.131673 -2.123337
H -1.973218 -0.398135 2.149131
H -3.265346 0.124649 1.033543
H -1.281133 2.938104 -0.577318
H -2.854654 2.099185 -0.573318
H 2.504554 -1.441363 -1.347249
H 2.521876 -2.042198 0.337251
H 4.464278 -0.163799 0.117826


