%chk=000080651.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080651

0 1
 O    2.944600      0.5932000     -0.5048000    
 O   0.4948000       1.864600     -0.3526000    
 O   -2.883500     -0.4299000     -0.2429000    
 O   -2.065400       1.572000      0.5455000    
 C  -0.5789000     -0.2314000      7.3600002E-02
 C   0.5727000      0.5137000     -0.1799000    
 C    1.811700     -0.1221000     -0.2575000    
 C  -0.4914000      -1.612400      0.2493000    
 C    1.899200      -1.503100     -8.1799999E-02
 C   0.7476000      -2.248300      0.1715000    
 C   -1.883000      0.4112000      0.1592000    
 C    3.648700       1.103100      0.6258000    
 C   -4.217100      8.9299999E-02 -0.2052000    
 H   -1.367200      -2.219800      0.4620000    
 H    2.861100      -2.005300     -0.1410000    
 H   0.8165000      -3.323200      0.3113000    
 H  -0.4284000       2.162200     -0.3374000    
 H    3.994300      0.2835000       1.263600    
 H    3.013900       1.784800       1.200600    
 H    4.520000       1.657000      0.2655000    
 H   -4.304000      0.9537000     -0.8701000    
 H   -4.486900      0.3609000      0.8196000    
 H   -4.897000     -0.6929000     -0.5532000    


%chk=000080651-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080651

0 1
O 3.186753 0.276946 -0.160143
O 0.677961 1.727156 -0.076957
O -2.936286 -0.464958 0.024109
O -1.878855 1.600869 -0.012852
C -0.533395 -0.419746 -0.029447
C 0.685318 0.344100 -0.053082
C 1.937380 -0.348551 -0.074804
C -0.495734 -1.842428 -0.058141
C 1.943197 -1.758298 -0.108376
C 0.738864 -2.505841 -0.107060
C -1.801239 0.321431 -0.006384
C 3.455195 1.470703 0.672183
C -4.229869 0.262875 0.043857
H -1.439753 -2.393004 -0.046227
H 2.918523 -2.254363 -0.139761
H 0.779482 -3.598914 -0.135021
H -0.302071 2.032467 -0.065256
H 3.316544 1.230516 1.743879
H 2.799325 2.307376 0.388533
H 4.511380 1.709759 0.476057
H -4.326214 0.890804 -0.857120
H -4.293130 0.900807 0.940742
H -4.991076 -0.528907 0.062370


