%chk=000005834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005834

0 1
 O   -2.296600     -0.6175000       1.896700    
 O   0.6059000       1.235500      -2.027700    
 O   -4.210000      -1.584300     -0.7683000    
 O   -5.529700      0.6493000     -6.9499999E-02
 O    6.585000       1.613600       1.617600    
 O   -5.775000       2.646500       1.065600    
 C   -1.097100     -0.6568000     -0.2500000    
 C   3.5399999E-02  -1.511100      0.3615000    
 C    1.403300      -1.281800     -0.2985000    
 C    1.800600      0.2265000     -0.1244000    
 C   -2.293600      -1.183400      0.5892000    
 C  -0.7229000      0.8245000     -4.2300001E-02
 C  -0.5513000      -2.920300      0.3739000    
 C   0.6682000       1.186300     -0.6093000    
 C    3.249900      0.5293000     -0.6770000    
 C   -2.046100      -2.705800      0.6898000    
 C    2.461900      -2.211400      0.3217000    
 C   -1.346500     -0.9551000      -1.754600    
 C    3.861800      -1.930800     -0.2101000    
 C    4.206700     -0.4753000     -2.5300000E-02
 C   -3.643800     -0.8434000      3.3900000E-02
 C    3.380000      0.3919000      -2.210700    
 C    3.645700       1.960700     -0.3443000    
 C    5.271600     -0.1218000      0.7113000    
 C   -4.259700      0.4531000      0.5155000    
 C    4.703500       2.319300      0.3898000    
 C    5.601000       1.296900      0.9579000    
 C   -6.191300       1.795700      0.2911000    
 C   -7.517200       1.869900     -0.4036000    
 H   0.1551000      -1.224900       1.419800    
 H    1.341400      -1.523600      -1.364400    
 H    1.853700      0.3925000      0.9655000    
 H  -0.7166000       1.066100       1.027600    
 H   -1.480100       1.464100     -0.5093000    
 H  -7.6800004E-02  -3.556000       1.128400    
 H  -0.4310000      -3.413300     -0.5972000    
 H   0.8964000       2.203900     -0.2730000    
 H   -2.643100      -3.294400     -1.4900000E-02
 H   -2.267100      -3.083600       1.694800    
 H    2.210800      -3.258000      0.1122000    
 H    2.460300      -2.099700       1.414200    
 H   -2.069500     -0.2457000      -2.173300    
 H  -0.4427000     -0.8868000      -2.362400    
 H   -1.746400      -1.960000      -1.924800    
 H    3.924400      -2.197700      -1.271200    
 H    4.575500      -2.580900      0.3105000    
 H    2.922900       1.231800      -2.745100    
 H    4.434400      0.3749000      -2.517400    
 H    2.921600     -0.5256000      -2.591700    
 H    3.036000       2.760700     -0.7584000    
 H   -2.903600      -1.133700       2.454400    
 H  -7.7299997E-02   1.882300      -2.272700    
 H    5.922300     -0.8607000       1.167000    
 H   -3.603500       1.283000      0.2415000    
 H   -4.394300      0.4108000       1.600700    
 H    4.934000       3.361900      0.5754000    
 H   -8.133700       1.014600     -0.1162000    
 H   -7.367000       1.890200      -1.485900    
 H   -8.032600       2.787300     -0.1054000    


%chk=000005834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005834

0 1
O -2.090629 -0.439847 2.056376
O 0.770688 1.492827 -1.923268
O -4.340100 -1.044502 -0.692513
O -5.248802 1.441276 0.022575
O 6.674026 1.576231 1.638982
O -6.806759 0.195516 1.236539
C -1.080208 -0.462337 -0.188719
C 0.007412 -1.459365 0.325879
C 1.378459 -1.283927 -0.359676
C 1.864088 0.183188 -0.126445
C -2.309833 -0.964348 0.682951
C -0.599425 0.972147 0.120110
C -0.692490 -2.838522 0.273413
C 0.811522 1.278188 -0.455781
C 3.316594 0.437422 -0.744591
C -2.181723 -2.519581 0.632123
C 2.403040 -2.282596 0.238966
C -1.408841 -0.645942 -1.693954
C 3.862956 -2.026873 -0.227277
C 4.240561 -0.570255 -0.055366
C -3.672762 -0.448808 0.188162
C 3.383752 0.209598 -2.296354
C 3.736437 1.873511 -0.498234
C 5.311231 -0.181605 0.704346
C -4.180791 0.848161 0.837885
C 4.812807 2.241368 0.253020
C 5.674046 1.235058 0.921732
C -6.549575 0.960787 0.283329
C -7.520002 1.506040 -0.735027
H 0.153870 -1.211744 1.399980
H 1.277998 -1.477514 -1.446027
H 2.006992 0.283090 0.974013
H -0.565438 1.105656 1.217439
H -1.304372 1.733745 -0.277686
H -0.244465 -3.559029 0.978866
H -0.618143 -3.278707 -0.738617
H 1.154270 2.225388 0.014389
H -2.883624 -2.918430 -0.119628
H -2.472761 -2.957404 1.606623
H 2.112462 -3.318525 -0.019702
H 2.365897 -2.202072 1.345399
H -2.149324 0.104434 -2.027387
H -0.503871 -0.508612 -2.305151
H -1.842756 -1.636449 -1.910316
H 3.954063 -2.316135 -1.293703
H 4.557891 -2.671610 0.340632
H 2.767838 0.959250 -2.813379
H 4.432512 0.292147 -2.633630
H 3.007691 -0.787164 -2.580926
H 3.138835 2.634142 -1.018558
H -2.540601 -1.042375 2.701211
H -0.011762 2.063373 -2.132453
H 5.953594 -0.922934 1.196313
H -3.382031 1.600844 0.914346
H -4.559082 0.625397 1.853819
H 5.096944 3.291992 0.385243
H -7.441418 0.904700 -1.658923
H -7.275995 2.548986 -0.992338
H -8.547695 1.432450 -0.350434


