%chk=000082761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082761

0 1
 O    2.444000     -0.1582000      0.7912000    
 O    1.324900      1.6899999E-02  -1.317800    
 O   -1.426400       1.496700      0.1048000    
 O   -2.414800     -0.5765000      0.6477000    
 C   1.6200000E-02 -0.3314000      0.7643000    
 C    1.272000      0.2827000      9.0800002E-02
 C   -1.292100      6.9399998E-02  3.4800000E-02
 C  -3.2499999E-02  5.5199999E-02   2.252900    
 C    3.549300      0.7172000      0.6086000    
 C    1.411200      -1.358900      -1.664600    
 C   -2.290900       2.009800     -0.9001000    
 C   -2.587700      -1.920200      0.2184000    
 C    4.736900      0.1790000       1.377800    
 C    1.458800      -1.485300      -3.172400    
 C   -2.376500       3.514400     -0.7556000    
 C   -3.792500      -2.510700      0.9193000    
 H   0.1163000      -1.422100      0.7567000    
 H    1.201800       1.373500      0.1894000    
 H   -1.233300     -0.2270000      -1.020100    
 H  -0.9090000     -0.3786000       2.745200    
 H   0.8505000     -0.3134000       2.785500    
 H  -7.2899997E-02   1.141700       2.382800    
 H    3.296400       1.716400      0.9804000    
 H    3.796700      0.7850000     -0.4564000    
 H   0.5404000      -1.911300      -1.301700    
 H    2.316300      -1.796200      -1.230200    
 H   -1.895900       1.760400      -1.891300    
 H   -3.287800       1.568700     -0.7925000    
 H   -2.748100      -1.942400     -0.8652000    
 H   -1.705800      -2.521200      0.4572000    
 H    5.607100      0.8308000       1.260300    
 H    4.998100     -0.8257000       1.029400    
 H    4.499700      9.4400004E-02   2.443500    
 H    1.529500      -2.533700      -3.475400    
 H    2.318700     -0.9417000      -3.577700    
 H   0.5630000      -1.046500      -3.624200    
 H   -3.034200       3.943700      -1.516600    
 H   -1.384000       3.967500     -0.8495000    
 H   -2.757500       3.785200      0.2346000    
 H   -3.959300      -3.545200      0.6062000    
 H   -4.691700      -1.925800      0.6994000    
 H   -3.655600      -2.487900       2.005400    


%chk=000082761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082761

0 1
O 2.459800 -0.066864 0.785994
O 1.320377 -0.057006 -1.344801
O -1.467738 1.519280 0.176195
O -2.407901 -0.593821 0.669349
C 0.052876 -0.232548 0.835348
C 1.263561 0.346237 0.073417
C -1.248098 0.102837 0.073561
C 0.004238 0.263790 2.295454
C 3.676747 0.666701 0.373241
C 1.461734 -1.511133 -1.579220
C -2.588167 2.008994 -0.653990
C -2.705119 -1.889267 0.037091
C 4.837463 0.125286 1.205910
C 1.956536 -1.688128 -3.015354
C -2.648462 3.525830 -0.484990
C -3.969803 -2.440923 0.695612
H 0.150153 -1.336915 0.841658
H 1.194590 1.450072 0.004984
H -1.170909 -0.196683 -1.000210
H -0.898350 -0.131502 2.792421
H 0.900948 -0.072967 2.840299
H -0.044304 1.365702 2.331514
H 3.522093 1.752037 0.555114
H 3.846638 0.519253 -0.711973
H 0.480132 -2.014628 -1.440756
H 2.177457 -1.932496 -0.846513
H -2.402902 1.728303 -1.714662
H -3.523564 1.522668 -0.317014
H -2.853685 -1.748739 -1.057340
H -1.855259 -2.593344 0.178361
H 5.774577 0.652430 0.948992
H 4.980415 -0.953344 1.019144
H 4.640175 0.265419 2.282797
H 2.048009 -2.761772 -3.263906
H 2.943668 -1.211770 -3.146934
H 1.254159 -1.222474 -3.728716
H -3.476549 3.946670 -1.084371
H -1.704190 3.993390 -0.813857
H -2.814599 3.787558 0.574208
H -4.242278 -3.416771 0.253413
H -4.813727 -1.743242 0.556697
H -3.811440 -2.577417 1.779132


