%chk=000058882.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058882

0 1
 O   0.7385000      0.6074000      0.9211000    
 O   -2.478200     -0.5564000       1.812000    
 O  -0.7309000       1.432600       2.491700    
 N    2.807300       1.393400     -0.7597000    
 C   -2.268600      0.7636000     -0.1213000    
 C   -1.544400     -0.1348000      0.8138000    
 C   -3.431700      0.2747000     -0.9249000    
 C   -4.020700       1.567100      -1.490300    
 C   -2.909700       2.612900      -1.413800    
 C    3.048700       1.112300      0.6746000    
 C   -1.986700       2.043800     -0.3899000    
 C    1.780500       1.376500       1.477600    
 C  -0.9371000      -1.388600      0.1996000    
 C  -0.4949000      0.7192000       1.523200    
 C    3.439700      0.2964000      -1.519300    
 C    3.446600     -0.3310000      0.7142000    
 C    3.665600     -0.7866000     -0.5202000    
 C    3.286300       2.705600      -1.172000    
 C  -0.5225000      -1.352800      -1.115800    
 C  -0.8201000      -2.522200      0.9772000    
 C   3.3599999E-02  -2.501600      -1.678600    
 C  -0.2640000      -3.670900      0.4145000    
 C   0.1628000      -3.660600     -0.9135000    
 H   -3.113100     -0.3885000      -1.734600    
 H   -4.173600     -0.2483000     -0.3138000    
 H   -4.871300       1.886000     -0.8736000    
 H   -4.394600       1.437900      -2.511300    
 H   -3.305100       3.586600      -1.110300    
 H   -2.392400       2.722100      -2.372400    
 H    3.878300       1.707900       1.077300    
 H   -1.180600       2.631100      2.4800001E-02
 H    1.519900       2.441100       1.434200    
 H    1.931200       1.093700       2.526700    
 H    4.400600      0.5832000      -1.962800    
 H    2.766200     -3.8199998E-02  -2.314200    
 H    3.574200     -0.9113000       1.616200    
 H    3.990300      -1.787400     -0.7620000    
 H    4.365500       2.821100      -1.021000    
 H    2.774200       3.494500     -0.6107000    
 H    3.066800       2.874900      -2.231700    
 H   -2.938900      0.2275000       2.158100    
 H  -0.5845000     -0.4601000      -1.729600    
 H   -1.127900      -2.552700       2.017700    
 H   0.3730000      -2.491500      -2.710300    
 H  -0.1587000      -4.572300       1.011400    
 H   0.5987000      -4.554100      -1.350800    


%chk=000058882-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058882

0 1
O 1.181431 -0.223735 0.760470
O -2.294714 0.185109 1.809694
O 0.129372 1.246497 2.232314
N 2.430074 2.307918 -0.306151
C -1.614274 0.461880 -0.519703
C -1.274202 -0.199673 0.814602
C -2.958148 0.190234 -1.191087
C -3.044321 1.311959 -2.272009
C -1.569477 1.775952 -2.508475
C 3.201325 1.103494 0.092743
C -0.855677 1.331840 -1.238754
C 2.518054 0.265549 1.191712
C -1.264981 -1.737578 0.725502
C 0.079863 0.355085 1.346315
C 2.649033 2.566819 -1.756135
C 3.435742 0.400865 -1.237293
C 3.137192 1.224982 -2.270824
C 2.487898 3.468096 0.591228
C -0.660744 -2.383872 -0.380952
C -1.849039 -2.515595 1.752130
C -0.635517 -3.793091 -0.455469
C -1.823180 -3.927141 1.675996
C -1.215793 -4.571350 0.574218
H -2.965669 -0.822218 -1.643681
H -3.791209 0.223718 -0.466918
H -3.631698 2.159678 -1.873768
H -3.536195 0.971214 -3.200023
H -1.494335 2.866514 -2.683161
H -1.121188 1.282150 -3.396852
H 4.200674 1.371131 0.541751
H 0.158937 1.651587 -0.967310
H 2.395641 0.851405 2.119633
H 3.104525 -0.646975 1.394704
H 3.416173 3.361124 -1.939439
H 1.713710 2.904106 -2.248802
H 3.816402 -0.621483 -1.305902
H 3.234008 0.993930 -3.334606
H 3.513398 3.904078 0.686365
H 2.128127 3.185725 1.596191
H 1.813290 4.258292 0.217157
H -1.962533 1.019124 2.244160
H -0.205865 -1.779569 -1.173776
H -2.332205 -2.002279 2.587728
H -0.165692 -4.284496 -1.315317
H -2.281515 -4.522053 2.474440
H -1.198394 -5.665745 0.514854


