%chk=000005053.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005053

0 1
 O    1.328800       1.705700     -0.3226000    
 O    3.175300       2.995000      0.2032000    
 O   -2.987200       2.158200      -1.067500    
 C    4.465200      0.2009000      0.3765000    
 C    3.192700     -0.5160000      7.9300001E-02
 C    3.471800      0.7918000     -0.5805000    
 C    4.600600      0.7930000       1.739100    
 C    5.756500     -0.2867000     -0.1915000    
 C    3.215200      -1.730300     -0.7584000    
 C    2.659500       1.957700     -0.1877000    
 C    3.427100      -3.000100     -0.3631000    
 C    3.417700      -4.134100      -1.350200    
 C    3.686500      -3.399400       1.062000    
 C   0.4601000       2.784500      3.7400000E-02
 C  -0.9765000       2.424300     -0.1400000    
 C   -1.814800       1.840000      0.8235000    
 C   -1.719200       2.602200      -1.270900    
 C   -3.037100       1.695800      0.2094000    
 C   -4.329800       1.158500      0.6564000    
 C   -4.507100     -0.3357000      0.4021000    
 C   -4.109000      -1.225900       1.375800    
 C   -5.058800     -0.7441000     -0.7928000    
 C   -4.270600      -2.591800       1.143200    
 C   -5.220500      -2.109800      -1.025300    
 C   -4.826300      -3.033700     -5.7300001E-02
 H    2.425600     -0.5374000      0.8476000    
 H    3.747000      0.7936000      -1.631200    
 H    3.638600       1.051600       2.195400    
 H    5.090600      8.2599998E-02   2.414500    
 H    5.213300       1.700500       1.707800    
 H    6.138000      -1.133400      0.3894000    
 H    5.675600     -0.6054000      -1.236500    
 H    6.510500      0.5079000     -0.1599000    
 H    3.024100      -1.562700      -1.817500    
 H    3.226200      -3.794300      -2.373400    
 H    2.638500      -4.857600      -1.088800    
 H    4.384800      -4.647500      -1.346300    
 H    3.684100      -2.548800       1.749700    
 H    4.663400      -3.887000       1.144900    
 H    2.918600      -4.101600       1.403000    
 H   0.6977000       3.657600     -0.5836000    
 H   0.6407000       3.053200       1.085900    
 H   -1.570400       1.555400       1.837100    
 H   -1.517400       3.005200      -2.252800    
 H   -5.151200       1.703100      0.1718000    
 H   -4.460200       1.354300       1.729300    
 H   -3.674400     -0.8892000       2.312100    
 H   -5.366200     -3.0600000E-02  -1.551200    
 H   -3.963200      -3.311100       1.896600    
 H   -5.652700      -2.454100      -1.960400    
 H   -4.951900      -4.097200     -0.2387000    


%chk=000005053-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005053

0 1
O 1.592954 1.545526 -0.740860
O 3.404371 2.967990 -1.113029
O -2.926352 1.760620 -1.153102
C 3.571777 -0.064761 1.085364
C 3.328224 -0.753465 -0.269412
C 3.812029 0.737156 -0.235539
C 2.359313 0.243520 1.961810
C 4.829650 -0.394217 1.890378
C 4.212023 -1.808139 -0.829929
C 2.967717 1.854370 -0.724906
C 3.838794 -2.842196 -1.642538
C 4.864629 -3.851213 -2.132505
C 2.422785 -3.093563 -2.129315
C 0.697337 2.658399 -1.204441
C -0.711980 2.270294 -0.895525
C -1.302314 2.068428 0.417590
C -1.726892 2.071787 -1.815017
C -2.637757 1.757099 0.238007
C -3.773749 1.408850 1.154821
C -4.020141 -0.096547 1.321742
C -4.066669 -0.675022 2.613999
C -4.226014 -0.928844 0.191375
C -4.316482 -2.057464 2.778501
C -4.475388 -2.309486 0.353368
C -4.522269 -2.879523 1.647647
H 2.266460 -0.835264 -0.523130
H 4.866823 0.912299 -0.471385
H 1.462958 0.461714 1.359776
H 2.139888 -0.625494 2.610645
H 2.560496 1.112769 2.617670
H 4.684025 -1.328440 2.465158
H 5.722441 -0.525237 1.255100
H 5.046763 0.418297 2.608531
H 5.275783 -1.740430 -0.557465
H 5.878128 -3.625431 -1.757603
H 4.904482 -3.870839 -3.240204
H 4.599803 -4.877955 -1.808668
H 1.698142 -2.342433 -1.777399
H 2.067664 -4.089746 -1.797570
H 2.390251 -3.101272 -3.237093
H 0.860181 2.806467 -2.286422
H 1.011925 3.580379 -0.682832
H -0.784500 2.136055 1.372998
H -1.779423 2.118434 -2.899371
H -4.694197 1.890949 0.769919
H -3.570312 1.858476 2.142879
H -3.907630 -0.042729 3.496651
H -4.186788 -0.491842 -0.812894
H -4.349218 -2.489673 3.785145
H -4.633845 -2.940769 -0.528499
H -4.716096 -3.950783 1.772478


