%chk=000049354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049354

0 1
 O    1.374400      7.6099999E-02  0.8727000    
 O   -1.376500      7.7600002E-02  0.8735000    
 O   1.7000000E-03   1.612700      -2.186900    
 O    1.984100      -2.550600      0.8679000    
 O   -1.988200      -2.547900      0.8707000    
 C  -9.9999997E-05   1.789600       1.932900    
 C    1.283600       1.498600       1.084800    
 C   -1.283700       1.500100       1.084100    
 C    1.292000       2.271500     -0.2438000    
 C   -1.290300       2.272100     -0.2453000    
 C   1.2000001E-03   1.984000      -1.014800    
 C    2.558600       1.948200      -1.036200    
 C   -2.556000       1.948900      -1.039100    
 C   7.9999998E-04   3.270800       2.385900    
 C  -1.4000000E-03  0.9331000       3.219100    
 C    2.877200      0.4834000     -0.9977000    
 C   -2.875300      0.4843000      -1.000500    
 C    2.284400     -0.3538000     -5.0500002E-02
 C   -2.285000     -0.3524000     -5.1199999E-02
 C    3.799000     -5.6000002E-02  -1.905000    
 C   -3.795000     -5.5500001E-02  -1.909500    
 C    2.576900      -1.720100     -3.6300000E-02
 C   -2.578400      -1.718500     -3.6200002E-02
 C    4.100900      -1.417700      -1.881500    
 C   -4.097700      -1.417100      -1.885600    
 C    3.486200      -2.250600     -0.9498000    
 C   -3.486000      -2.249400     -0.9513000    
 C    2.652300      -2.733000       2.114100    
 C   -2.659600      -2.728100       2.115500    
 H    2.163300       1.788300       1.677200    
 H   -2.163400       1.791600       1.675700    
 H    1.296800       3.353700     -6.8400003E-02
 H   -1.295000       3.354400     -7.0299998E-02
 H    3.406100       2.486200     -0.5923000    
 H    2.461500       2.287500      -2.074300    
 H   -2.457500       2.287800      -2.077200    
 H   -3.403800       2.487300     -0.5965000    
 H   0.8844000       3.488200       2.997200    
 H   6.9999998E-04   3.983300       1.558400    
 H  -0.8824000       3.489000       2.997800    
 H  -0.8870000       1.144100       3.829300    
 H  -1.6000000E-03 -0.1407000       3.004600    
 H   0.8835000       1.143400       3.830500    
 H    4.282600      0.5826000      -2.639900    
 H   -4.276400      0.5827000      -2.646400    
 H    4.812400      -1.828400      -2.591900    
 H   -4.807500      -1.828100      -2.597400    
 H    3.720500      -3.311600     -0.9405000    
 H   -3.721000      -3.310100     -0.9413000    
 H    2.752900      -1.779100       2.641500    
 H    3.638100      -3.182600       1.958600    
 H    2.052100      -3.409700       2.728500    
 H   -2.061300      -3.404300       2.732300    
 H   -3.645300      -3.177400       1.958400    
 H   -2.760900      -1.773500       2.641300    


%chk=000049354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049354

0 1
O 1.484850 -0.015725 0.861486
O -1.485974 -0.014641 0.860567
O 0.002099 1.615322 -2.276972
O 2.342411 -2.739027 0.831110
O -2.345506 -2.737044 0.830551
C -0.000391 1.627192 1.931204
C 1.294095 1.433470 1.079036
C -1.294161 1.434444 1.077700
C 1.288932 2.203918 -0.270013
C -1.286897 2.204523 -0.271582
C 0.001431 1.933186 -1.063952
C 2.583049 1.940271 -1.064163
C -2.580211 1.941424 -1.067286
C -0.000144 3.077439 2.497259
C -0.001357 0.647909 3.131583
C 3.017682 0.482641 -1.028040
C -3.015954 0.484119 -1.031144
C 2.477023 -0.407470 -0.067029
C -2.477207 -0.405978 -0.069057
C 3.945150 -0.009942 -1.976387
C -3.942621 -0.008212 -1.980410
C 2.879943 -1.777238 -0.044709
C -2.881240 -1.775400 -0.046551
C 4.333664 -1.364564 -1.975119
C -4.332217 -1.362528 -1.978953
C 3.800731 -2.243074 -1.006664
C -3.801205 -2.240998 -1.009393
C 2.437701 -2.468412 2.276484
C -2.442979 -2.465534 2.275615
H 2.163355 1.795010 1.673045
H -2.163706 1.796973 1.670690
H 1.248061 3.283019 -0.009926
H -1.245822 3.283662 -0.011658
H 3.391013 2.581253 -0.657962
H 2.423516 2.242736 -2.114838
H -2.419125 2.243374 -2.117872
H -3.388242 2.583125 -0.662357
H 0.890727 3.236986 3.131464
H 0.000183 3.859768 1.716828
H -0.891191 3.237389 3.131112
H -0.896682 0.813826 3.759537
H -0.001729 -0.392748 2.780064
H 0.893613 0.812977 3.760268
H 4.346453 0.678018 -2.730319
H -4.342463 0.679692 -2.735168
H 5.043561 -1.737690 -2.720500
H -5.041483 -1.735450 -2.725038
H 4.076075 -3.301777 -0.974486
H -4.077442 -3.299463 -0.977036
H 1.893255 -1.549388 2.547093
H 3.498909 -2.384269 2.585592
H 1.978141 -3.343920 2.760624
H -1.984755 -3.341040 2.761028
H -3.504631 -2.380548 2.582960
H -1.898389 -1.546686 2.546584


