%chk=000118107.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118107

0 1
 O    3.687500       1.260000      -1.132700    
 O    3.974400     -0.9253000     -0.5935000    
 C   -1.616600     -0.5274000     -0.1896000    
 C  -0.5097000      -1.341600     -0.8670000    
 C   -2.951000     -0.7031000     -0.9111000    
 C   -1.221700      0.9568000     -0.1270000    
 C   0.8166000      -1.209200     -0.1119000    
 C    1.127100      0.1999000      0.3268000    
 C   -4.128700     -2.9400000E-02 -0.1895000    
 C   0.2002000       1.173100      0.3011000    
 C    2.529600      0.4524000      0.7954000    
 C   -4.306300     -0.5393000       1.241400    
 C   -3.925400       1.487500     -0.1764000    
 C    2.865300     -0.4162000       1.999700    
 C    3.458700      0.1618000     -0.3656000    
 H   -1.701700     -0.9130000      0.8344000    
 H  -0.3758000     -0.9957000      -1.900700    
 H  -0.7892000      -2.400600     -0.9221000    
 H   -2.880600     -0.3228000      -1.938600    
 H   -3.171000      -1.775200     -0.9987000    
 H   -1.758600       1.460200      0.6703000    
 H   -1.354500       1.465000      -1.086800    
 H    1.595200      -1.616500     -0.7627000    
 H   0.7718000      -1.851900      0.7760000    
 H   -5.038300     -0.2592000     -0.7587000    
 H   0.4693000       2.181700      0.6047000    
 H    2.674300       1.499200       1.091600    
 H   -3.495800     -0.2259000       1.906600    
 H   -4.365000      -1.632500       1.260500    
 H   -5.238800     -0.1499000       1.665000    
 H   -3.556800       1.895700      0.7667000    
 H   -4.929000       1.934900     -0.2427000    
 H   -3.411600       1.883400      -1.054900    
 H    2.157200     -0.2497000       2.819000    
 H    3.867600     -0.1729000       2.371300    
 H    2.870900      -1.486500       1.765400    
 H    4.297700       1.065700      -1.875800    


%chk=000118107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118107

0 1
O 3.957517 1.498031 -0.873349
O 3.952322 -0.820219 -0.957073
C -1.608374 -0.470707 -0.106825
C -0.505990 -1.308215 -0.806935
C -2.961512 -0.648863 -0.846046
C -1.131952 1.002099 0.001831
C 0.816582 -1.302005 -0.009724
C 1.222121 0.107659 0.398833
C -4.258002 -0.048663 -0.216045
C 0.332975 1.138233 0.376634
C 2.678740 0.347684 0.835041
C -4.389719 -0.373118 1.291698
C -4.450331 1.466504 -0.480650
C 3.148695 -0.642952 1.930789
C 3.581003 0.233801 -0.391418
H -1.714777 -0.870154 0.924190
H -0.326563 -0.893507 -1.820496
H -0.854382 -2.350979 -0.943209
H -2.855547 -0.253616 -1.879353
H -3.124422 -1.742664 -0.952735
H -1.741271 1.546711 0.749969
H -1.311173 1.524919 -0.963669
H 1.626979 -1.765687 -0.605825
H 0.707596 -1.934334 0.896813
H -5.098626 -0.560783 -0.732914
H 0.677214 2.147700 0.647396
H 2.764607 1.383735 1.205213
H -3.624336 0.158310 1.888187
H -4.274948 -1.456962 1.482521
H -5.381130 -0.064379 1.673105
H -3.709956 2.080933 0.060991
H -5.455600 1.792252 -0.151880
H -4.357309 1.696804 -1.558801
H 2.470562 -0.590418 2.800329
H 4.170587 -0.396625 2.270840
H 3.159941 -1.677780 1.549659
H 4.505779 1.380754 -1.697193


