%chk=000013789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013789

0 1
 O   -4.435200     -6.3800000E-02  0.4578000    
 O   -5.869800      -1.832800      0.2137000    
 O    6.470400     -0.6642000     -0.9233000    
 C   -1.952400      5.8899999E-02  0.4225000    
 C   -1.023000       1.159800     -0.1473000    
 C   -3.303000      0.4656000     -0.2499000    
 C   0.3988000       1.088800      0.4306000    
 C    1.006000     -0.2995000      5.0500002E-02
 C   -1.351400      -1.311800      6.2199999E-02
 C   -1.828700       2.440800      5.2299999E-02
 C   -3.293700       2.013400     -0.1433000    
 C   0.1058000      -1.457000      0.5446000    
 C    2.520300     -0.4036000      0.4580000    
 C   -3.536400      7.9999998E-04  -1.685000    
 C   -2.117200      0.1211000       1.970700    
 C    1.293500       2.203200     -4.3299999E-02
 C    3.286400      0.7594000     -0.1908000    
 C    3.106700      -1.743400     -6.1700001E-02
 C   -4.270500      -1.311400      -1.523000    
 C    2.703900     -0.3288000       1.992300    
 C    2.591300       2.031400     -0.3289000    
 C   -4.968100      -1.127600     -0.2120000    
 C    4.623400      -1.826200      5.5100001E-02
 C    4.544200      0.6493000     -0.6510000    
 C    5.298700     -0.6224000     -0.5509000    
 H  -0.9314000       1.020900      -1.236200    
 H   0.3388000       1.191400       1.519400    
 H   0.9821000     -0.3649000      -1.051000    
 H   -1.348000      -1.458100      -1.023700    
 H   -1.956900      -2.121900      0.4856000    
 H   -1.546700       3.216000     -0.6678000    
 H   -1.684000       2.855800       1.056100    
 H   -3.901800       2.361000      0.7004000    
 H   -3.707900       2.491500      -1.037800    
 H   0.1318000      -1.525300       1.636500    
 H   0.4807000      -2.414500      0.1671000    
 H   -2.634800     -8.5699998E-02  -2.296300    
 H   -4.207300      0.6943000      -2.209000    
 H   -1.170500      1.9900000E-02   2.506700    
 H   -2.570600       1.058000       2.308900    
 H   -2.763500     -0.6927000       2.320400    
 H   0.8737000       3.200800     -0.1357000    
 H    2.833400      -1.875600      -1.118000    
 H    2.676500      -2.593200      0.4813000    
 H   -3.592400      -2.165000      -1.456100    
 H   -4.992400      -1.464000      -2.329000    
 H    3.762600     -0.3236000       2.275200    
 H    2.269700      0.5794000       2.421800    
 H    2.241100      -1.186500       2.491500    
 H    3.162200       2.888100     -0.6785000    
 H    4.971600      -2.719400     -0.4758000    
 H    4.939700      -1.910500       1.099600    
 H    5.065900       1.482900      -1.111400    


%chk=000013789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013789

0 1
O -4.482680 -0.112482 0.493148
O -6.004224 -1.844502 0.219451
O 6.564135 -0.732414 -0.988732
C -1.947457 0.050308 0.419836
C -1.026412 1.186038 -0.133369
C -3.309925 0.477076 -0.248682
C 0.412049 1.092823 0.426129
C 1.020947 -0.290758 0.029349
C -1.347061 -1.323196 0.025002
C -1.847545 2.484070 0.090474
C -3.336542 2.026384 -0.069445
C 0.124309 -1.463490 0.509373
C 2.533084 -0.404053 0.452691
C -3.538559 -0.007333 -1.714728
C -2.120704 0.112728 1.964451
C 1.303627 2.220693 -0.042873
C 3.300427 0.747102 -0.225906
C 3.124041 -1.764120 -0.025776
C -4.339618 -1.317886 -1.577624
C 2.704670 -0.256231 1.997022
C 2.622674 2.038872 -0.357058
C -5.060899 -1.176199 -0.232882
C 4.662391 -1.840855 0.083698
C 4.601269 0.603399 -0.665330
C 5.366318 -0.648866 -0.568385
H -0.943570 1.033239 -1.233147
H 0.342454 1.156392 1.535388
H 1.014611 -0.316492 -1.085357
H -1.357629 -1.439858 -1.077858
H -1.950678 -2.149571 0.449915
H -1.582087 3.273270 -0.634141
H -1.666287 2.895175 1.101100
H -3.933716 2.268028 0.826493
H -3.829989 2.515364 -0.927103
H 0.148987 -1.540305 1.612886
H 0.522362 -2.419235 0.121835
H -2.595115 -0.129402 -2.270898
H -4.145563 0.743908 -2.250545
H -1.171805 -0.081228 2.491426
H -2.501109 1.089934 2.306504
H -2.851624 -0.647690 2.286817
H 0.858857 3.221152 -0.129070
H 2.831447 -1.920283 -1.084399
H 2.679404 -2.591065 0.558701
H -3.690402 -2.211143 -1.529697
H -5.076232 -1.486205 -2.379045
H 3.765652 -0.351839 2.285757
H 2.361418 0.730559 2.353242
H 2.135127 -1.037491 2.532384
H 3.220768 2.883707 -0.723678
H 5.052451 -2.765957 -0.377230
H 4.976358 -1.871916 1.146723
H 5.129193 1.450942 -1.122735


