%chk=000044460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044460

0 1
 O   -3.511000      -1.597200       1.067500    
 O   -4.256800      0.3986000      -1.918700    
 O   -3.651500       1.293400       1.541000    
 C   -3.944300      -1.265700     -0.2542000    
 C   -2.515500      -1.644500      2.4499999E-02
 C   -4.288900      0.1654000     -0.5090000    
 C   -1.454600     -0.5578000      3.3300001E-02
 C   -3.333900       1.167400      0.1553000    
 C   -1.865300      0.7986000      5.6899998E-02
 C  -5.5199999E-02 -0.8458000      1.8100001E-02
 C   0.8882000      0.2173000      3.0000000E-03
 C  -0.9193000       1.832300      5.2299999E-02
 C   0.4484000       1.558600      1.6200000E-02
 C    2.285900     -4.7300000E-02 -2.1500001E-02
 C   0.4582000      -2.159400      2.2500001E-02
 C    2.755800      -1.378400     -2.6300000E-02
 C    3.218500       1.018400     -3.9500002E-02
 C    1.383700       2.602100      3.9999999E-04
 C    1.830500      -2.422500     -1.9000000E-03
 C    2.751400       2.336100     -2.9200001E-02
 C    4.135600      -1.630300     -5.2400000E-02
 C    4.592600      0.7385000     -6.5700002E-02
 C    5.047300     -0.5777000     -7.2400004E-02
 H   -4.589100      -1.968600     -0.7637000    
 H   -2.242800      -2.627900     -0.3435000    
 H   -5.316800      0.3452000     -0.1753000    
 H   -3.482700       2.151900     -0.3068000    
 H   -1.263200       2.865400      8.1699997E-02
 H   -3.351500      0.2335000      -2.232900    
 H  -0.2023000      -3.022100      5.0299998E-02
 H   -4.573800       1.595000       1.604200    
 H    1.055900       3.639800      1.0800000E-02
 H    2.162900      -3.458600      6.0000003E-04
 H    3.447200       3.172400     -4.1700002E-02
 H    4.512900      -2.650700     -5.6499999E-02
 H    5.322600       1.545100     -8.0200002E-02
 H    6.113600     -0.7835000     -9.2100002E-02


%chk=000044460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044460

0 1
O -3.522999 -1.698351 1.114398
O -4.332539 0.390886 -1.978848
O -3.677531 1.361157 1.607360
C -3.934638 -1.292689 -0.270929
C -2.491962 -1.625738 -0.021465
C -4.309113 0.160527 -0.517158
C -1.469297 -0.544523 0.037650
C -3.370661 1.185543 0.172468
C -1.897455 0.815728 0.083055
C -0.068463 -0.850177 0.020156
C 0.894460 0.228056 0.007004
C -0.951118 1.857034 0.068945
C 0.440890 1.597091 0.027834
C 2.306006 -0.048393 -0.021289
C 0.443566 -2.208611 0.027836
C 2.778204 -1.410059 -0.029715
C 3.260296 1.035011 -0.041292
C 1.416057 2.666652 0.009763
C 1.800207 -2.473691 0.004675
C 2.770977 2.397586 -0.025619
C 4.175572 -1.666121 -0.060092
C 4.649439 0.736470 -0.073261
C 5.100062 -0.600769 -0.082972
H -4.565908 -2.024265 -0.793100
H -2.152213 -2.620214 -0.325012
H -5.352635 0.352892 -0.209913
H -3.535046 2.147637 -0.360542
H -1.300571 2.895958 0.102980
H -3.421961 0.222683 -2.338426
H -0.254469 -3.048921 0.076862
H -4.624299 1.648913 1.695393
H 1.052181 3.700539 0.026703
H 2.159238 -3.509624 0.020251
H 3.502596 3.213934 -0.039527
H 4.529424 -2.703591 -0.063801
H 5.371939 1.560821 -0.088797
H 6.174464 -0.812387 -0.106477


