%chk=000085214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085214

0 1
 O   -2.732300       1.493200     -0.5383000    
 O    3.909900      0.1878000     -0.3952000    
 O   -3.672500     -0.8590000      0.6047000    
 O    2.286600      0.3479000       1.235800    
 C   0.2972000     -0.5519000     -0.5727000    
 C    1.723700     -0.4458000     -0.9941000    
 C  -0.5652000      0.5297000     -0.7520000    
 C  -0.1747000      -1.732500      1.2000001E-03
 C   -1.899500      0.4307000     -0.3573000    
 C   -2.371200     -0.7500000      0.2165000    
 C   -1.508800      -1.831600      0.3958000    
 C    2.639500      7.5099997E-02  9.6400000E-02
 C   -2.821200       2.436300      0.5282000    
 C    4.888600      0.6702000      0.5310000    
 H    2.092300      -1.429500      -1.309900    
 H    1.803900      0.2235000      -1.859500    
 H  -0.2026000       1.453000      -1.197500    
 H   0.4876000      -2.581600      0.1482000    
 H   -1.863200      -2.757100      0.8420000    
 H   -3.527700       3.218100      0.2362000    
 H   -1.846000       2.897300      0.7143000    
 H   -3.189300       1.954400       1.439400    
 H   -3.817900      -1.744300      0.9802000    
 H    4.626200       1.677300      0.8688000    
 H    5.852000      0.7126000      1.6000001E-02
 H    4.974500     -1.3100000E-02   1.381200    


%chk=000085214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085214

0 1
O -2.601688 1.663681 -0.744675
O 3.712985 0.620048 -0.246488
O -3.504027 -0.469223 1.006859
O 3.200040 -1.519574 0.513383
C 0.434951 -0.466117 -0.607281
C 1.818771 -0.471408 -1.258947
C -0.470532 0.584797 -0.880115
C 0.028221 -1.512223 0.256773
C -1.772828 0.607301 -0.329915
C -2.179475 -0.464490 0.514427
C -1.268112 -1.503050 0.810998
C 2.948277 -0.549666 -0.238137
C -3.433798 2.340325 0.270213
C 4.853240 0.642906 0.708426
H 1.916360 -1.360880 -1.910745
H 1.956865 0.426821 -1.879735
H -0.190355 1.418173 -1.532596
H 0.724967 -2.319095 0.502180
H -1.583306 -2.324030 1.469282
H -3.929815 3.157741 -0.275144
H -2.797932 2.758686 1.074352
H -4.174920 1.649934 0.701694
H -3.658911 -1.277714 1.555451
H 4.481799 0.548209 1.742109
H 5.333397 1.617195 0.544267
H 5.545726 -0.187647 0.492763


