%chk=000077388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077388

0 1
 O   -2.964900       1.889400      -1.358800    
 O    3.004900       1.852600      -1.364500    
 C   -1.178700       1.451300      8.6099997E-02
 C    1.202800       1.443400      6.9200002E-02
 C  -4.9000001E-03   1.093600     -0.5350000    
 C   -2.472600       1.077400     -0.5613000    
 C    2.463400       1.080800     -0.5592000    
 C   -1.214100       2.138700       1.276900    
 C    1.201800       2.140900       1.277300    
 C   -3.147600     -0.1805000     -0.2852000    
 C    3.157600     -0.2112000     -0.2746000    
 C  -6.6000000E-03   2.488400       1.881100    
 C   -2.588700      -1.089400      0.6134000    
 C   -4.354200     -0.4785000     -0.9187000    
 C    2.578900      -1.086500      0.6145000    
 C    4.347200     -0.4733000     -0.9134000    
 C   -3.236200      -2.296000      0.8785000    
 C   -5.001800      -1.685200     -0.6535000    
 C    3.226800      -2.292800      0.8803000    
 C    4.994900      -1.679700     -0.6476000    
 C   -4.442700      -2.593900      0.2451000    
 C    4.434700      -2.589500      0.2492000    
 H  -1.1800000E-02  0.5508000      -1.476300    
 H   -2.152500       2.411300       1.749900    
 H    2.136700       2.418700       1.757300    
 H  -7.3000002E-03   3.031300       2.821800    
 H   -1.651800     -0.8986000       1.127900    
 H   -4.810900      0.2120000      -1.622800    
 H    1.641500     -0.8917000       1.123700    
 H    4.802400      0.2186000      -1.614900    
 H   -2.801300      -3.004100       1.577800    
 H   -5.941200      -1.917500      -1.146600    
 H    2.790800      -3.001600       1.578300    
 H    5.935600      -1.911100      -1.138900    
 H   -4.946800      -3.533500      0.4515000    
 H    4.939100      -3.528800      0.4559000    


%chk=000077388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077388

0 1
O -2.523778 0.609505 -2.240545
O 2.499722 0.595313 -2.265361
C -1.234430 0.373708 -0.226027
C 1.228943 0.367358 -0.238134
C -0.006458 0.249937 -0.919528
C -2.514586 0.273469 -1.015697
C 2.500943 0.260683 -1.040138
C -1.219042 0.675912 1.163816
C 1.228872 0.669716 1.151647
C -3.775871 -0.217818 -0.361033
C 3.766411 -0.235333 -0.397101
C 0.008667 0.839591 1.840734
C -3.769802 -1.139286 0.721500
C -5.019134 0.202557 -0.906914
C 3.767019 -1.156324 0.685886
C 5.006098 0.179891 -0.954904
C -4.986310 -1.621893 1.251728
C -6.231930 -0.266228 -0.365356
C 4.986578 -1.643439 1.204835
C 6.222127 -0.293323 -0.424555
C -6.218707 -1.179967 0.716977
C 6.215575 -1.206551 0.658277
H -0.012123 0.072137 -2.000075
H -2.161880 0.821066 1.701162
H 2.177609 0.810198 1.679758
H 0.014631 1.108119 2.902468
H -2.819042 -1.504823 1.123602
H -5.005986 0.889878 -1.759272
H 2.818674 -1.517753 1.097274
H 4.987677 0.866884 -1.807429
H -4.973832 -2.344214 2.075265
H -7.185530 0.072021 -0.784962
H 4.979014 -2.365431 2.028717
H 7.173035 0.041122 -0.853211
H -7.161797 -1.550419 1.134236
H 7.161142 -1.580462 1.066762


