%chk=000130442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130442

0 1
 O   0.4668000     -0.7519000      0.1572000    
 O    1.920300      0.8977000     -0.7186000    
 O   -3.444600      0.5641000      0.5883000    
 O   -1.758100      -2.606000     -0.1815000    
 O  -0.8384000       1.203600       1.617000    
 O    2.033800      -2.762900     -0.9204000    
 O    4.540600      -2.143800      0.3481000    
 O   -2.774100       1.619700      -1.428600    
 O    4.774400      0.4991000     -0.4644000    
 O   -5.628700      -1.078500      0.5823000    
 O    1.889400       3.376200      0.4379000    
 C  -0.8508000     -0.3685000     -0.2272000    
 C   -1.883400      -1.309300      0.3963000    
 C    1.417000     -0.4335000     -0.8586000    
 C   -1.093300       1.075000      0.2170000    
 C    2.566000      -1.444700     -0.8420000    
 C    3.405700      -1.285800      0.4256000    
 C   -3.300600     -0.7841000      0.1339000    
 C    3.857600      0.1689000      0.5819000    
 C    2.650400       1.112300      0.4994000    
 C   -2.543100       1.488800     -3.0099999E-02
 C   -4.350700      -1.622300      0.8575000    
 C    3.058100       2.581500      0.5289000    
 C   -4.114200       2.004200      -1.700000    
 H  -0.9705000     -0.4477000      -1.316400    
 H   -1.685600      -1.401300       1.471600    
 H   0.9553000     -0.5035000      -1.851000    
 H  -0.4190000       1.757900     -0.3065000    
 H    3.207600      -1.305800      -1.720500    
 H    2.828900      -1.596100       1.305300    
 H   -3.529600     -0.8215000     -0.9392000    
 H    4.397700      0.2974000       1.525800    
 H    1.978500      0.9252000       1.343000    
 H   -2.718100       2.461000      0.4472000    
 H   -4.198800      -1.585800       1.941400    
 H   -4.341000      -2.664100      0.5253000    
 H    3.700000       2.848300     -0.3166000    
 H    3.578900       2.829300       1.458500    
 H   -2.242100      -3.231600      0.3831000    
 H  -2.9800000E-02  0.7072000       1.821900    
 H    1.504400      -2.818200      -1.734200    
 H    4.212200      -3.050200      0.2205000    
 H    4.276700      0.5773000      -1.295500    
 H   -6.280400      -1.621800       1.057400    
 H   -4.205300       2.176900      -2.776100    
 H   -4.364400       2.934900      -1.181100    
 H   -4.821000       1.216700      -1.424300    
 H    1.464400       3.175300     -0.4132000    


%chk=000130442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130442

0 1
O 0.475153 0.043467 0.105868
O 2.378076 1.252847 -0.677417
O -3.657717 0.398651 0.755071
O -1.103502 -2.279382 -0.022877
O -1.152145 1.845409 1.489684
O 1.287159 -2.283102 -1.395306
O 3.861570 -2.670300 -0.141140
O -3.355524 1.484119 -1.383384
O 5.008456 -0.005231 -0.784196
O -5.284151 -2.096854 0.356785
O 2.983167 3.391359 1.052024
C -0.956723 0.099930 -0.252899
C -1.656645 -1.022463 0.523344
C 1.448742 0.178213 -0.988524
C -1.509791 1.493862 0.118149
C 2.193526 -1.168183 -1.153421
C 3.105310 -1.444465 0.065294
C -3.188004 -0.927524 0.292695
C 4.067276 -0.255451 0.311649
C 3.186217 0.986583 0.571317
C -3.046827 1.512197 0.034465
C -4.010801 -1.949514 1.070096
C 3.932229 2.294266 0.833291
C -4.798342 1.607329 -1.663660
H -1.095862 -0.078446 -1.336989
H -1.425340 -0.925281 1.603261
H 0.941242 0.483557 -1.921305
H -1.113228 2.240453 -0.599549
H 2.823603 -1.117034 -2.061312
H 2.455565 -1.541117 0.965754
H -3.393752 -1.052245 -0.789518
H 4.710946 -0.477862 1.180486
H 2.475002 0.795052 1.397052
H -3.458396 2.407295 0.538410
H -4.153316 -1.578753 2.105325
H -3.482913 -2.929432 1.105348
H 4.626258 2.511869 -0.002278
H 4.514646 2.213500 1.765995
H -1.387328 -3.053974 0.520127
H -0.166001 1.753406 1.567012
H 0.483362 -2.246771 -0.783423
H 3.238015 -3.316127 -0.570218
H 4.502087 0.394921 -1.539049
H -5.970008 -2.469294 0.964349
H -4.890958 1.576181 -2.759547
H -5.187201 2.571890 -1.280295
H -5.360911 0.773565 -1.205877
H 2.406879 3.438483 0.245628


