%chk=000053508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053508

0 1
 O   0.8436000       1.401400     -0.1534000    
 O    2.669000       2.670700      0.4835000    
 O   -3.404100       1.906100      -1.197400    
 C    3.197800     -0.6268000      0.7654000    
 C    4.308900      0.3055000      0.4187000    
 C    2.985300      0.4542000     -0.2535000    
 C    2.479300     -0.4918000       2.066700    
 C    3.336200      -2.039500      0.3062000    
 C    5.444600     -0.1746000     -0.3881000    
 C    2.165600       1.636100      6.9700003E-02
 C    6.543400     -0.7787000      9.0099998E-02
 C    7.682300      -1.247300     -0.7660000    
 C  -3.1399999E-02   2.496800      0.1343000    
 C    7.475000      -2.680700      -1.229600    
 C   -1.457800       2.154800     -0.1371000    
 C   -2.368500       1.594100      0.7730000    
 C   -2.118600       2.329700      -1.318200    
 C   -3.548000       1.459900      7.8199998E-02
 C   -4.876300      0.9464000      0.4415000    
 C   -5.058000     -0.5481000      0.1922000    
 C   -4.740800      -1.431800       1.200900    
 C   -5.533600     -0.9630000      -1.032800    
 C   -4.907100      -2.797900      0.9732000    
 C   -5.700100      -2.329100      -1.260300    
 C   -5.386700      -3.246400     -0.2572000    
 H    4.593400       1.039600       1.166300    
 H    2.902300      0.1392000      -1.290400    
 H    2.906700      -1.173100       2.811000    
 H    2.545400      0.5171000       2.488100    
 H    1.419300     -0.7425000       1.951300    
 H    2.372800      -2.557200      0.3801000    
 H    3.654500      -2.130200     -0.7383000    
 H    4.051700      -2.584000      0.9320000    
 H    5.385200      1.0000000E-03  -1.460400    
 H    6.622300     -0.9658000       1.158200    
 H    7.795000     -0.5955000      -1.640600    
 H    8.614600      -1.168500     -0.1954000    
 H   8.1100002E-02   2.775400       1.189800    
 H   0.2612000       3.358900     -0.4784000    
 H    8.324800      -3.007300      -1.837500    
 H    7.386600      -3.363300     -0.3776000    
 H    6.568900      -2.775500      -1.837500    
 H   -2.198300       1.318300       1.804100    
 H   -1.844100       2.717900      -2.288300    
 H   -5.076900       1.157000       1.500600    
 H   -5.654300       1.496700     -0.1044000    
 H   -4.365700      -1.089800       2.160600    
 H   -5.777800     -0.2546000      -1.818400    
 H   -4.662800      -3.512300       1.753900    
 H   -6.073100      -2.678700      -2.218500    
 H   -5.516100      -4.310200     -0.4346000    


%chk=000053508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053508

0 1
O 0.778481 1.158648 0.085373
O 2.566404 2.349475 1.008616
O -3.507154 2.067472 -1.160809
C 3.558202 -0.562227 1.901393
C 4.269232 -0.160786 0.599158
C 2.705367 -0.081432 0.683649
C 3.726739 0.350642 3.113869
C 3.419018 -2.041603 2.260337
C 4.921976 -1.118484 -0.329626
C 2.068239 1.254628 0.636149
C 6.005576 -0.814171 -1.095051
C 6.699019 -1.767920 -2.044206
C 0.027145 2.455814 -0.021939
C 8.201328 -1.957676 -1.707645
C -1.416045 2.136418 -0.237757
C -2.305414 1.431121 0.669919
C -2.181261 2.500077 -1.331853
C -3.560546 1.396843 0.090452
C -4.885147 0.804788 0.474804
C -5.175741 -0.566459 -0.149254
C -5.511084 -1.670494 0.672428
C -5.134312 -0.747900 -1.555752
C -5.802671 -2.932569 0.104231
C -5.425040 -2.007157 -2.125197
C -5.761017 -3.104692 -1.297729
H 4.738516 0.831316 0.639003
H 2.139839 -0.860662 0.165160
H 4.660260 0.093136 3.649096
H 3.769719 1.413095 2.823608
H 2.884986 0.222089 3.821011
H 2.582696 -2.185640 2.969304
H 3.224007 -2.678978 1.380548
H 4.343982 -2.407198 2.745309
H 4.494246 -2.130267 -0.398270
H 6.435980 0.198769 -1.029034
H 6.185297 -2.748628 -2.031787
H 6.617119 -1.380011 -3.081288
H 0.206217 3.023105 0.909338
H 0.453113 3.032583 -0.862030
H 8.688675 -2.631695 -2.436006
H 8.736540 -0.989977 -1.730359
H 8.326986 -2.388851 -0.698275
H -2.028381 0.988913 1.625115
H -1.971674 3.039918 -2.251308
H -4.918849 0.720753 1.575498
H -5.684012 1.515999 0.185363
H -5.545047 -1.544272 1.761975
H -4.869032 0.098163 -2.199881
H -6.060013 -3.776847 0.754033
H -5.389508 -2.133180 -3.213407
H -5.986256 -4.081394 -1.740575


