%chk=000053022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053022

0 1
 O    2.930800     -0.7537000     -0.6430000    
 O   -3.636000      0.9447000      4.1499998E-02
 O    1.274900      -1.997400      0.5014000    
 O    4.552800      0.5969000      0.3595000    
 O   -5.261200     -0.6637000     -0.1739000    
 C   0.5590000     -6.3000001E-02 -0.9199000    
 C   0.7909000       1.065500      0.1497000    
 C  -8.8000000E-02   2.342900     -6.0000001E-03
 C  -0.8889000     -0.6617000     -0.9168000    
 C   -1.709100     -0.4201000      0.3598000    
 C   -2.261300       1.000200      0.4903000    
 C   -1.567500       2.083700     -0.3356000    
 C    1.579600      -1.221200     -0.6561000    
 C    2.290500       1.438000      0.2167000    
 C   0.8478000      0.4670000      -2.351000    
 C    3.180700      0.2075000      0.3758000    
 C  -8.5000005E-03   3.229900       1.250200    
 C   -2.975500      -1.207500      0.3644000    
 C   -4.112700     -0.3288000      5.1500000E-02
 C   -3.136900      -2.503700      0.6418000    
 C    2.227900      -3.030600      0.6943000    
 C    5.410400     -0.5247000      0.5053000    
 H   0.5665000      0.6363000       1.135400    
 H   0.3165000       2.942200     -0.8330000    
 H  -0.8236000      -1.743000      -1.103300    
 H   -1.455300     -0.2861000      -1.780300    
 H   -1.116000     -0.6832000       1.242700    
 H   -2.290300       1.302100       1.545000    
 H   -2.136500       3.017900     -0.2262000    
 H   -1.676300       1.860600      -1.403600    
 H    1.518200      -1.909100      -1.510400    
 H    2.584500       1.989200     -0.6848000    
 H    2.496600       2.113400       1.053900    
 H   0.1906000       1.299000      -2.619300    
 H    1.879200      0.8120000      -2.470700    
 H   0.6870000     -0.3222000      -3.095400    
 H    2.978700     -0.2407000       1.357400    
 H    1.000800       3.620900       1.405200    
 H  -0.6682000       4.099700       1.158500    
 H  -0.3022000       2.677100       2.148500    
 H   -2.282700      -3.126300      0.8870000    
 H   -4.113700      -2.974800      0.6327000    
 H    3.201400      -2.632200      0.9902000    
 H    2.327500      -3.647900     -0.2041000    
 H    1.870600      -3.669600       1.507000    
 H    6.438300     -0.1578000      0.5765000    
 H    5.349000      -1.186100     -0.3640000    
 H    5.180400      -1.076300       1.422100    


%chk=000053022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053022

0 1
O 2.961804 -0.795146 -0.663263
O -3.669024 0.950702 0.226339
O 1.172338 -1.830187 0.578926
O 4.586650 0.678758 0.205578
O -5.334740 -0.659549 -0.016635
C 0.573991 -0.032621 -0.971781
C 0.817328 1.075993 0.122128
C -0.070884 2.359273 0.007696
C -0.874045 -0.645658 -0.965720
C -1.677837 -0.481057 0.350281
C -2.198370 0.980494 0.567680
C -1.568015 2.070887 -0.305079
C 1.564405 -1.205196 -0.686334
C 2.321755 1.468134 0.153970
C 0.881472 0.476081 -2.406955
C 3.229616 0.260526 0.364206
C 0.041287 3.233013 1.286322
C -2.959015 -1.299738 0.336123
C -4.134453 -0.382290 0.164692
C -3.111232 -2.643284 0.437143
C 1.895660 -3.079355 0.852442
C 5.571475 -0.372826 0.503752
H 0.588167 0.603618 1.100425
H 0.314130 2.965263 -0.839505
H -0.795450 -1.729712 -1.175156
H -1.460346 -0.222137 -1.802518
H -1.030061 -0.794259 1.186006
H -2.152850 1.250953 1.638854
H -2.148436 3.001350 -0.159958
H -1.698376 1.791193 -1.365494
H 1.524616 -1.952556 -1.507742
H 2.621489 1.963714 -0.787508
H 2.520228 2.178575 0.975114
H 0.281478 1.371545 -2.647341
H 1.948111 0.721432 -2.539596
H 0.625346 -0.301876 -3.151119
H 3.066765 -0.213432 1.360316
H 1.069793 3.592154 1.462088
H -0.605800 4.124779 1.199727
H -0.276029 2.673796 2.187139
H -2.256029 -3.315962 0.567129
H -4.113795 -3.084151 0.393979
H 2.986835 -2.905869 0.905008
H 1.687924 -3.835203 0.067600
H 1.522924 -3.440132 1.823754
H 6.555620 0.116614 0.448658
H 5.508942 -1.188273 -0.238138
H 5.415341 -0.783077 1.523664


