%chk=000095144.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095144

0 1
 O  -0.5239000      -1.923500      0.2559000    
 O    1.229700       1.749200     -0.4416000    
 O   -1.197000       1.603800       1.088800    
 O    2.886300     -0.5967000     -8.4500000E-02
 O    1.344400      -2.114300       1.702600    
 O   -2.985400     -0.9727000     -0.5995000    
 O    3.094300       2.054800      0.8875000    
 O   -2.256300       2.427000     -0.7919000    
 O    3.189200      -1.735400      -2.071600    
 O   -5.218000      -1.294800     -0.1007000    
 C   0.8495000      0.6151000      0.3413000    
 C  -0.6772000      0.5145000      0.3301000    
 C    1.475000     -0.6407000     -0.2623000    
 C   -1.149600     -0.8206000      0.9217000    
 C   0.9011000      -1.913700      0.3618000    
 C   -2.657100      -1.009900      0.7771000    
 C    2.378200       2.373800     -5.1899999E-02
 C   -1.974500       2.488500      0.3972000    
 C    3.627800      -1.185500      -1.070500    
 C    1.194600      -3.468900       2.099200    
 C    2.650500       3.536200     -0.9579000    
 C   -2.448200       3.573000       1.316800    
 C   -4.311700      -1.128900     -0.9058000    
 C    5.087000      -1.062700     -0.7516000    
 C   -4.508600      -1.067600      -2.390200    
 H    1.182400      0.7526000       1.379300    
 H  -0.9844000      0.5626000     -0.7230000    
 H    1.225200     -0.6239000      -1.333200    
 H  -0.9141000     -0.8638000       1.992900    
 H    1.266600      -2.755200     -0.2407000    
 H   -2.943000      -1.988500       1.181400    
 H   -3.200100     -0.2251000       1.315800    
 H    1.515800      -3.557500       3.140700    
 H    1.825400      -4.122200       1.488400    
 H   0.1484000      -3.782500       2.032800    
 H    1.824300       4.249600     -0.9039000    
 H    3.566700       4.039600     -0.6364000    
 H    2.788300       3.182200      -1.982600    
 H   -1.590200       4.113000       1.725100    
 H   -3.069500       4.277700      0.7569000    
 H   -3.049600       3.140400       2.120300    
 H    5.364900     -7.4000000E-03 -0.6914000    
 H    5.673100      -1.533000      -1.546300    
 H    5.303900      -1.572700      0.1903000    
 H   -3.952300      -1.876200      -2.870800    
 H   -5.570800      -1.189000      -2.621100    
 H   -4.178800     -9.6100003E-02  -2.766900    


%chk=000095144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095144

0 1
O -0.366723 -2.263529 0.124642
O 1.234721 1.506552 -0.701268
O -1.265256 1.285960 0.893067
O 3.045535 -0.647954 -0.170639
O 1.516871 -2.178334 1.640228
O -3.107232 -1.165639 -0.576454
O 2.044972 2.745028 1.116842
O -2.144047 2.214111 -1.070176
O 3.540490 -2.393355 -1.635061
O -4.612969 0.388255 0.314344
C 0.890749 0.362186 0.175174
C -0.635644 0.181373 0.129483
C 1.598924 -0.873953 -0.396578
C -1.051368 -1.138923 0.811962
C 1.096070 -2.182379 0.259722
C -2.551158 -1.415071 0.778366
C 1.815090 2.645752 -0.105011
C -2.025090 2.235034 0.173671
C 3.928915 -1.479822 -0.872391
C 1.370132 -3.489992 2.294251
C 2.089808 3.682582 -1.170457
C -2.682968 3.199568 1.126693
C -4.137198 -0.210860 -0.677740
C 5.358213 -1.106948 -0.555822
C -4.521691 0.000521 -2.120022
H 1.236879 0.570883 1.203680
H -0.991193 0.206864 -0.916125
H 1.413377 -0.961252 -1.482941
H -0.724973 -1.121333 1.872512
H 1.465360 -3.069101 -0.285278
H -2.730458 -2.480191 0.998998
H -3.080251 -0.773323 1.503679
H 1.731885 -3.351944 3.324007
H 1.986310 -4.252580 1.778041
H 0.313477 -3.817213 2.302107
H 1.155927 3.931361 -1.703358
H 2.513548 4.586275 -0.709848
H 2.794372 3.278638 -1.917990
H -2.069377 3.351874 2.027430
H -2.875746 4.156571 0.618872
H -3.653298 2.764760 1.431539
H 5.534987 -0.041982 -0.783694
H 6.044809 -1.735539 -1.140351
H 5.550500 -1.244325 0.522552
H -4.307460 -0.892301 -2.726058
H -5.585560 0.274731 -2.188893
H -3.919959 0.843566 -2.508106


