%chk=000051388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051388

0 1
 O    2.697000       1.994700      -1.658600    
 O    4.116600       1.669800       1.641100    
 O    1.296700      -3.634200      -1.064000    
 C    1.528900      0.6836000     -8.1900001E-02
 C    2.603400       1.732200     -0.2578000    
 C    1.866900     -0.6693000      2.2299999E-02
 C   0.1739000       1.057900     -8.3400004E-02
 C  -0.8794000      0.1158000      2.6600000E-02
 C   0.8501000      -1.622200      0.1229000    
 C  -0.5051000      -1.247600      0.1295000    
 C    3.984600       1.297000      0.2693000    
 C   -2.277300      0.4638000      3.4800000E-02
 C    3.271700      -1.084200      2.3300000E-02
 C    4.247900     -0.1772000      0.1569000    
 C  -3.9299998E-02   2.532400     -0.2552000    
 C   -1.489100      -2.233800      0.2376000    
 C   -3.246700     -0.5668000      0.1463000    
 C    1.221900      -3.076900      0.2373000    
 C   -2.839000      -1.899000      0.2460000    
 C   -2.768600       1.790100     -6.1700001E-02
 C   -4.618500     -0.2612000      0.1576000    
 C   -4.135700       2.080600     -4.9199998E-02
 C   -5.060900       1.054400      6.0400002E-02
 H    2.381800       2.655000      0.2870000    
 H    4.770100       1.829100     -0.2798000    
 H    3.564600      -2.117200     -0.1071000    
 H    5.282800     -0.5078000      0.1713000    
 H   0.8044000       3.162500     -0.5287000    
 H  -0.6614000       2.701200      -1.141400    
 H  -0.4198000       2.975600      0.6706000    
 H   -1.282900      -3.296900      0.2874000    
 H    2.170600      -3.245400      0.7536000    
 H   0.5349000      -3.667000      0.8488000    
 H   -3.572700      -2.699400      0.3250000    
 H   -2.205700       2.699900     -8.8799998E-02
 H    3.332000       2.721200      -1.778700    
 H   -5.360900      -1.052600      0.2439000    
 H    3.387600       1.258500       2.136600    
 H   -4.474600       3.111000     -0.1117000    
 H   -6.123800       1.274900      7.3899999E-02
 H   0.5068000      -3.366700      -1.563600    


%chk=000051388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051388

0 1
O 2.827605 1.791503 -1.835506
O 3.916778 1.832997 1.760497
O 1.905870 -3.725206 -0.809024
C 1.503280 0.689690 -0.159442
C 2.625392 1.698137 -0.364799
C 1.849372 -0.681274 0.078427
C 0.155106 1.104702 -0.253889
C -0.903322 0.145485 -0.025332
C 0.829229 -1.662572 0.145514
C -0.548235 -1.260414 0.049064
C 3.949937 1.337837 0.354456
C -2.324956 0.511528 0.105195
C 3.271124 -1.057926 0.194138
C 4.268254 -0.133836 0.310420
C -0.109611 2.525270 -0.745051
C -1.606290 -2.251153 -0.033270
C -3.336364 -0.515176 -0.000980
C 1.215836 -3.118777 0.355975
C -2.934692 -1.894449 -0.119896
C -2.782783 1.831603 0.424134
C -4.722424 -0.180054 0.077918
C -4.147749 2.138503 0.528691
C -5.134006 1.134842 0.322031
H 2.328659 2.689036 0.035384
H 4.763828 1.935814 -0.096700
H 3.521141 -2.122468 0.172182
H 5.314054 -0.440613 0.418688
H 0.670274 2.807647 -1.470990
H -1.080059 2.597787 -1.259749
H -0.102142 3.276662 0.068985
H -1.345886 -3.312166 -0.065633
H 1.955617 -3.207598 1.169034
H 0.349929 -3.739128 0.643283
H -3.710779 -2.661007 -0.228614
H -2.061367 2.617855 0.646205
H 3.516774 2.484373 -2.013604
H -5.462508 -0.982120 -0.028983
H 3.441490 1.157103 2.309936
H -4.452925 3.158823 0.785812
H -6.198542 1.383776 0.386902
H 1.418892 -3.469238 -1.633010


