%chk=000054127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054127

0 1
 O  -0.8864000       2.161200      -2.630000    
 O   -2.773900       2.824800      -1.501200    
 N   0.9692000      0.2157000     -0.2580000    
 N    1.650100      -3.298600      -1.312700    
 C   4.5899998E-02  0.9806000     -0.8921000    
 C   0.8363000      -1.251200     -0.2584000    
 C   -1.107600       1.473600     -0.4388000    
 C   0.2643000       1.379100      -2.301500    
 C    1.771200      -1.866400      -1.289300    
 C   -1.756000       1.352600      0.8879000    
 C    2.076600      0.7411000      0.4805000    
 C   -1.710000       2.231100      -1.545200    
 C   -2.635500      0.1311000       1.007100    
 C    2.240300       2.113200      0.5699000    
 C    2.960000     -0.1335000       1.090500    
 C    1.937300      -3.882400      7.0000002E-03
 C    2.543100      -3.895900      -2.318000    
 C   -3.973700      0.2215000      0.6585000    
 C   -2.088800      -1.057800       1.463000    
 C    3.318900       2.625700       1.290600    
 C    4.038700      0.3790000       1.811100    
 C    4.218200       1.758700       1.911300    
 C   -4.786400     -0.9067000      0.7686000    
 C   -2.901600      -2.186000       1.573100    
 C   -4.250400      -2.110600       1.225800    
 H   0.9262000      -1.641200      0.7589000    
 H  -0.1874000      -1.514800     -0.5607000    
 H    1.159300       1.994600      -2.432300    
 H   0.3063000      0.5203000      -2.977500    
 H    1.500600      -1.469600      -2.276600    
 H    2.813700      -1.565700      -1.133800    
 H   -2.340300       2.254500       1.112400    
 H  -0.9915000       1.322700       1.676100    
 H    1.564100       2.822000      0.1027000    
 H    2.890200      -1.212400       1.074700    
 H    1.141100      -3.680700      0.7291000    
 H    2.897600      -3.545100      0.4125000    
 H    1.975800      -4.976500     -6.5200001E-02
 H    2.322100      -3.493300      -3.312900    
 H    2.387200      -4.978800      -2.376200    
 H    3.599200      -3.706900      -2.094100    
 H   -4.401800       1.154100      0.3027000    
 H   -1.052800      -1.119500       1.775800    
 H    3.459000       3.700000       1.369100    
 H    4.738200     -0.2949000       2.297200    
 H    5.057700       2.157800       2.473100    
 H   -5.836900     -0.8478000      0.4990000    
 H   -2.486000      -3.120800       1.937900    
 H   -4.883700      -2.988500       1.313600    


%chk=000054127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054127

0 1
O -0.624400 3.039422 -1.730553
O -2.876590 2.727995 -1.173234
N 1.258690 0.637048 0.387120
N 0.865632 -3.133998 -0.036729
C 0.274597 1.434249 -0.197801
C 0.976653 -0.778648 0.757837
C -1.103267 1.426305 -0.053294
C 0.649076 2.442752 -1.291638
C 0.875870 -1.723488 -0.470206
C -2.028458 0.713879 0.913202
C 2.606868 1.121637 0.521207
C -1.682951 2.409321 -0.991980
C -2.632792 -0.606286 0.418335
C 2.839093 2.440162 1.000502
C 3.719872 0.284885 0.238409
C 2.209165 -3.663875 0.265420
C 0.099339 -4.024346 -0.932813
C -3.275602 -0.679620 -0.846320
C -2.614744 -1.761471 1.239414
C 4.155429 2.920489 1.156857
C 5.034316 0.768713 0.413995
C 5.262278 2.089464 0.863356
C -3.879189 -1.882232 -1.275811
C -3.220760 -2.965622 0.812127
C -3.854459 -3.031226 -0.449276
H 1.780697 -1.107954 1.436127
H 0.032629 -0.848551 1.317011
H 1.307168 3.261598 -0.963395
H 1.117307 1.927738 -2.151297
H -0.069206 -1.509464 -1.000314
H 1.708060 -1.503719 -1.187478
H -2.865624 1.415795 1.103559
H -1.526787 0.555278 1.885074
H 1.988173 3.067323 1.288417
H 3.562286 -0.731061 -0.136794
H 2.716381 -3.037931 1.021113
H 2.871270 -3.719412 -0.637396
H 2.120329 -4.681737 0.684625
H -0.928777 -3.641017 -1.045715
H 0.038140 -5.032881 -0.484800
H 0.553999 -4.128617 -1.949953
H -3.327250 0.214298 -1.477466
H -2.131485 -1.720828 2.224111
H 4.316002 3.937733 1.530720
H 5.882567 0.113339 0.187006
H 6.283726 2.461832 0.992855
H -4.380396 -1.919025 -2.249904
H -3.195121 -3.847707 1.461946
H -4.330053 -3.961138 -0.780979


