%chk=000050353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050353

0 1
 O    4.299500     -0.7278000      -1.606400    
 O    4.607900      0.3087000       1.855700    
 O  -0.2713000       3.239100     -0.9746000    
 O   -2.448900      -3.369000       1.034100    
 C   0.1645000      8.3600000E-02 -6.6299997E-02
 C    1.586400      0.2447000     -7.4500002E-02
 C    2.427900     -0.8880000     -0.1702000    
 C  -0.3694000      -1.225700     -0.1647000    
 C    3.933300     -0.7462000     -0.2262000    
 C  -0.7682000       1.147700      4.2800002E-02
 C   -1.760000      -1.431800     -0.1612000    
 C    4.454300      0.5278000      0.4556000    
 C   -2.161400      0.9444000      4.7300000E-02
 C   -2.663600     -0.3653000     -5.7500001E-02
 C    1.867400      -2.163900     -0.2708000    
 C   0.4871000      -2.328300     -0.2658000    
 C    2.232800       1.570100      6.8000001E-03
 C    3.538600       1.698100      0.2776000    
 C  -0.3593000       2.575200      0.2758000    
 C   -2.305200      -2.832600     -0.2697000    
 C   -3.063000       2.017500      0.1551000    
 C   -4.053400     -0.5748000     -5.3599998E-02
 C   -4.440300       1.795900      0.1577000    
 C   -4.935400      0.5003000      5.3199999E-02
 H    4.403700      -1.625000      0.2309000    
 H    5.438700      0.7881000      4.8400000E-02
 H    2.506000      -3.040100     -0.3525000    
 H   0.1517000      -3.357900     -0.3143000    
 H    1.803700       2.462900     -0.4078000    
 H    3.992400       2.685400      0.2479000    
 H   -1.060000       3.131900      0.9039000    
 H   0.5078000       2.715600      0.9215000    
 H   -3.265200      -2.892300     -0.7879000    
 H   -1.692700      -3.504300     -0.8760000    
 H   -2.785000       3.064800      0.1795000    
 H   -4.515100      -1.554600     -0.1017000    
 H    3.858600      2.7600000E-02  -2.031700    
 H   -5.126700       2.634800      0.2290000    
 H   -6.007500      0.3263000      5.8600001E-02
 H    5.252400     -0.4103000       1.970900    
 H  -0.8703000       2.817300      -1.613000    
 H   -1.634700      -3.193500       1.535400    


%chk=000050353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050353

0 1
O 4.446987 -1.049441 -1.544853
O 4.593267 0.811129 1.724895
O -0.118567 3.496185 -0.461477
O -3.092252 -3.430670 0.737303
C 0.179587 0.065439 -0.020630
C 1.632151 0.242019 -0.129028
C 2.477855 -0.882262 -0.060296
C -0.361310 -1.297436 -0.129186
C 3.984733 -0.726344 -0.166089
C -0.734115 1.144026 0.209632
C -1.772524 -1.517036 -0.220571
C 4.514711 0.668279 0.248244
C -2.150588 0.921221 0.131264
C -2.673916 -0.413328 -0.122804
C 1.933114 -2.201017 -0.004305
C 0.564847 -2.405087 -0.091743
C 2.266959 1.550621 -0.409457
C 3.607547 1.762509 -0.253947
C -0.269850 2.522907 0.653998
C -2.344540 -2.910522 -0.433139
C -3.097645 2.004861 0.267504
C -4.102804 -0.596384 -0.213985
C -4.467830 1.794420 0.152677
C -4.977879 0.476299 -0.088473
H 4.485419 -1.498271 0.446313
H 5.526781 0.768232 -0.197564
H 2.618531 -3.054407 0.046397
H 0.188313 -3.430392 -0.110718
H 1.641718 2.362549 -0.798094
H 4.043644 2.742478 -0.472731
H -0.968162 2.932691 1.406766
H 0.724227 2.484838 1.119905
H -3.099577 -2.897034 -1.236496
H -1.569274 -3.634191 -0.736041
H -2.741831 3.021125 0.463453
H -4.502672 -1.603912 -0.349966
H 3.919807 -0.499608 -2.181533
H -5.162175 2.635967 0.251657
H -6.059072 0.316522 -0.159264
H 5.342441 0.248124 2.053389
H -0.931001 3.456119 -1.027839
H -2.536953 -3.304815 1.548134


