%chk=000100034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100034

0 1
 O   -2.250100       1.987400     -0.4770000    
 O   -3.634400      0.4954000      0.7309000    
 O  -0.3178000       3.241500     -0.3706000    
 O   -3.294300      -2.314600      0.2181000    
 C  -0.2700000      0.8957000      0.1219000    
 C   -1.380400     -0.1137000      0.2070000    
 C  -0.6687000      0.3285000       1.468800    
 C    1.040900      0.5036000     -0.5360000    
 C    1.251800      -1.007200     -0.8093000    
 C   -2.616500      0.6069000     -0.2548000    
 C    2.254000      0.9655000      0.2977000    
 C   -1.129200      -1.491200     -0.2426000    
 C  -0.9129000       2.180500     -0.2684000    
 C    3.285300     -0.1716000      0.2188000    
 C    2.392700      -1.418800      0.1290000    
 C   6.0899999E-02  -1.914500     -0.6983000    
 C    4.173200     -0.2141000       1.465500    
 C    4.176400     -1.9700000E-02  -1.025200    
 C   -2.160800      -2.539600     -0.1757000    
 H   -1.178000      0.9843000       2.166200    
 H   3.3000000E-03 -0.3636000       1.963900    
 H    1.081800       1.010000      -1.510800    
 H    1.613700      -1.104300      -1.842600    
 H   -3.001500      0.2165000      -1.202700    
 H    2.652300       1.914500     -7.9599999E-02
 H    1.962700       1.144600       1.340000    
 H    1.998400      -1.683900       1.118900    
 H    2.935100      -2.292000     -0.2512000    
 H   0.2164000      -2.946500      -1.003800    
 H    3.577300     -0.3256000       2.378200    
 H    4.871900      -1.056900       1.421800    
 H    4.758800      0.7067000       1.563400    
 H    3.594200      7.1000002E-02  -1.947600    
 H    4.802200      0.8769000     -0.9488000    
 H    4.842800     -0.8823000      -1.136400    
 H   -1.863600      -3.549900     -0.5042000    
 H   -3.229900      0.4819000       1.613000    


%chk=000100034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100034

0 1
O -2.308364 2.086648 -0.274299
O -3.716145 0.586180 0.860784
O -0.345438 3.284878 -0.658749
O -3.386387 -2.212942 0.400820
C -0.244602 0.917982 0.081283
C -1.396238 -0.085403 0.211982
C -0.708283 0.444778 1.477391
C 1.106288 0.544785 -0.522298
C 1.286561 -1.001698 -0.804235
C -2.699396 0.654656 -0.145063
C 2.324733 0.949573 0.366378
C -1.157622 -1.488316 -0.215733
C -0.890784 2.225807 -0.315709
C 3.380386 -0.188538 0.225621
C 2.471157 -1.450220 0.120931
C 0.077362 -1.885844 -0.672062
C 4.321246 -0.262756 1.449183
C 4.220833 -0.005551 -1.066286
C -2.240583 -2.475678 -0.079099
H -1.277452 1.134169 2.107721
H -0.050714 -0.249496 2.008692
H 1.171573 1.079200 -1.488001
H 1.647686 -1.117674 -1.848178
H -3.089110 0.347986 -1.138027
H 2.726977 1.937635 0.082858
H 2.002867 1.020452 1.422878
H 2.086935 -1.714346 1.126254
H 3.004387 -2.331820 -0.279605
H 0.217350 -2.943301 -0.946348
H 3.749664 -0.409010 2.385180
H 5.040184 -1.098424 1.354066
H 4.905337 0.670668 1.552937
H 3.587677 0.098399 -1.966796
H 4.842330 0.906050 -0.995268
H 4.898009 -0.866126 -1.223999
H -2.002756 -3.510797 -0.421544
H -3.917669 -0.390505 0.963840


