%chk=000064389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064389

0 1
 O   -2.702300      -2.687900     -0.5639000    
 O   -3.829800      -1.883600       1.246600    
 O    5.680500     -0.7834000      0.1336000    
 C   0.1401000      0.4907000     -4.8500001E-02
 C   -2.219500     -0.4842000      0.1027000    
 C   -1.802500       1.857700      0.9157000    
 C   -1.737200       1.362400      -1.546400    
 C  -0.7111000     -0.7889000      0.2051000    
 C  -0.2984000       1.549800       1.009800    
 C  -0.2317000       1.061200      -1.449200    
 C   -2.598900      0.5678000       1.157800    
 C   -2.530300      6.8599999E-02  -1.301000    
 C   -2.120200       2.401700     -0.4839000    
 C    1.637300      0.1469000      7.9999998E-04
 C   -3.014200      -1.735400      0.3487000    
 C    2.465700      0.7675000      0.9360000    
 C    2.167600     -0.7868000     -0.8895000    
 C    3.824300      0.4546000      0.9805000    
 C    3.526100      -1.099800     -0.8449000    
 C    4.354500     -0.4790000      9.0099998E-02
 H   -2.073300       2.604400       1.670700    
 H   -1.969800       1.753500      -2.543400    
 H  -0.4446000      -1.573800     -0.5144000    
 H  -0.4770000      -1.205800       1.195100    
 H   0.2562000       2.487200      0.8692000    
 H  -8.0700003E-02   1.192600       2.025300    
 H   3.3000000E-02  0.3558000      -2.246800    
 H   0.3424000       1.976500      -1.646800    
 H   -2.395700      0.1935000       2.170100    
 H   -3.674300      0.7873000       1.118600    
 H   -3.606000      0.2647000      -1.403600    
 H   -2.277900     -0.6640000      -2.078500    
 H   -3.188000       2.640800     -0.5602000    
 H   -1.572000       3.335800     -0.6576000    
 H    2.108400       1.499300       1.651200    
 H    1.546800      -1.284900      -1.628400    
 H   -3.210600      -3.514300     -0.4193000    
 H    4.459600      0.9449000       1.713400    
 H    3.933600      -1.827600      -1.541200    
 H    6.100600     -0.2617000      0.8390000    


%chk=000064389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064389

0 1
O -2.708345 -2.768143 -0.591747
O -3.888813 -1.974511 1.233803
O 5.760759 -0.855741 0.063906
C 0.121891 0.517983 -0.031483
C -2.249372 -0.484116 0.103307
C -1.830083 1.876877 0.913842
C -1.750780 1.375864 -1.558582
C -0.716867 -0.780768 0.210371
C -0.311841 1.577441 1.024120
C -0.232814 1.079418 -1.449339
C -2.642637 0.581245 1.160677
C -2.553491 0.069067 -1.329563
C -2.152114 2.432733 -0.497858
C 1.623359 0.181579 0.040388
C -3.036664 -1.765424 0.340681
C 2.506257 0.788353 0.967904
C 2.180836 -0.771433 -0.859201
C 3.882867 0.466890 1.002323
C 3.546778 -1.105668 -0.841160
C 4.403475 -0.482260 0.094752
H -2.106081 2.626441 1.681136
H -1.975148 1.758936 -2.573737
H -0.445105 -1.559526 -0.524261
H -0.480853 -1.181374 1.216150
H 0.260125 2.515026 0.872972
H -0.082017 1.210015 2.044868
H 0.064068 0.351176 -2.228910
H 0.352863 2.002219 -1.630828
H -2.450226 0.188080 2.176900
H -3.728104 0.786815 1.100828
H -3.639081 0.267630 -1.428523
H -2.282975 -0.691175 -2.085540
H -3.232708 2.665400 -0.578418
H -1.598114 3.376187 -0.674147
H 2.130921 1.527116 1.681471
H 1.536947 -1.267813 -1.594641
H -3.246753 -3.580750 -0.390121
H 4.540802 0.956168 1.733136
H 3.965393 -1.839625 -1.536282
H 6.274343 -0.366235 0.753306


