%chk=000113547.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113547

0 1
 O   -2.036100       1.378400      6.0500000E-02
 O   0.7147000       1.882100     -2.5400000E-02
 O    3.207400      0.6159000      8.8000000E-02
 O    3.457800      -1.616000     -0.7434000    
 O    1.838200      -1.730900       1.016700    
 O  -0.1882000      -2.833800      0.4776000    
 C   -3.789700     -0.1516000     -0.5025000    
 C   -3.161300      0.6950000      0.5952000    
 C   -5.018500     -0.9042000     -9.9999997E-05
 C   -1.403900       2.189700       1.043000    
 C  -0.2009000       2.872400      0.4214000    
 C   -5.668100      -1.714500      -1.110300    
 C    1.866900       2.467500     -0.6195000    
 C    2.814000       1.365600      -1.053600    
 C    4.103100     -0.4436000     -0.2445000    
 C    2.861400      -2.405600      0.2866000    
 C   0.6033000      -1.666100      0.3104000    
 H   -3.043900     -0.8570000     -0.8904000    
 H   -4.059200      0.4942000      -1.347700    
 H   -2.841600      5.4400001E-02   1.425500    
 H   -3.888500       1.424500      0.9706000    
 H   -4.734800      -1.575600      0.8186000    
 H   -5.751900     -0.1951000      0.4012000    
 H   -2.109000       2.941000       1.415100    
 H   -1.078400       1.553000       1.874000    
 H  -0.5198000       3.474600     -0.4372000    
 H   0.2817000       3.521000       1.160800    
 H   -5.994600      -1.066300      -1.929900    
 H   -6.545000      -2.246500     -0.7281000    
 H   -4.970800      -2.455200      -1.514600    
 H    2.360700       3.109200      0.1194000    
 H    1.573200       3.070200      -1.486000    
 H    2.308800      0.6967000      -1.759700    
 H    3.694800       1.804500      -1.534700    
 H    4.680400     -0.6931000      0.6532000    
 H    4.824700     -0.1067000     -0.9976000    
 H    3.638400      -2.711200      0.9961000    
 H    2.463000      -3.320800     -0.1658000    
 H   3.6800001E-02 -0.8148000      0.6996000    
 H   0.7671000      -1.493600     -0.7588000    
 H  -0.6979000      -2.720600       1.297700    


%chk=000113547-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113547

0 1
O -2.265943 1.577184 -0.003639
O 0.715678 1.833816 -0.069151
O 3.418965 0.620583 -0.213030
O 2.756332 -1.625477 -0.798815
O 2.271369 -1.830015 1.595975
O -0.137027 -1.666443 1.784512
C -3.904990 -0.025246 -0.791238
C -3.088622 0.432486 0.420747
C -4.826815 -1.222675 -0.462734
C -1.402754 2.080160 1.065689
C -0.236785 2.828425 0.432816
C -5.649200 -1.688917 -1.683544
C 1.874623 2.427394 -0.736006
C 2.705829 1.294776 -1.319240
C 3.873321 -0.706468 -0.566101
C 2.405110 -2.503324 0.317673
C 1.115821 -0.930275 1.704304
H -3.205641 -0.299268 -1.604501
H -4.509426 0.826543 -1.160196
H -2.426651 -0.382325 0.787420
H -3.766073 0.735486 1.253308
H -4.213070 -2.065848 -0.085488
H -5.515408 -0.943339 0.361262
H -1.976204 2.766157 1.729370
H -1.009384 1.243570 1.680586
H -0.609378 3.465202 -0.398907
H 0.254044 3.481307 1.189957
H -6.292733 -0.872520 -2.062229
H -6.301318 -2.544930 -1.429608
H -4.984776 -2.002292 -2.510579
H 2.482214 3.021757 -0.018579
H 1.541045 3.098803 -1.559486
H 2.037696 0.577813 -1.832337
H 3.447513 1.697920 -2.041957
H 4.499366 -1.033622 0.281659
H 4.434500 -0.695508 -1.521949
H 3.201368 -3.250460 0.492793
H 1.458339 -2.973950 -0.000975
H 1.328843 -0.356912 2.624592
H 1.024556 -0.267350 0.832011
H -0.130037 -2.235116 2.597016


