%chk=000131070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131070

0 1
 O    5.921000      0.9326000      0.1522000    
 O   -1.854600      -2.106600     -0.6040000    
 O   -6.348700     -0.2881000      0.1781000    
 O   -5.094900       1.620900      0.5273000    
 C    2.064600     -0.6508000      5.8300000E-02
 C    2.278000      0.7113000     -0.2608000    
 C   0.7596000      -1.168400      2.2700001E-02
 C  -0.3197000     -0.3544000     -0.3226000    
 C    1.180000       1.515700     -0.6067000    
 C    3.583000       1.228900     -0.2253000    
 C    3.162800      -1.455200      0.4038000    
 C  -0.1099000      0.9849000     -0.6369000    
 C    4.662500      0.4154000      0.1204000    
 C    4.452600     -0.9241000      0.4343000    
 C   -1.665100     -0.9063000     -0.3554000    
 C   -2.823800       0.000000     -5.0400000E-02
 C    6.978400      4.6100002E-02  0.5153000    
 C   -4.075000     -0.4756000     -5.5599999E-02
 C   -5.199100      0.4355000      0.2544000    
 C   -7.551700      0.4383000      0.4507000    
 H   0.5921000      -2.215000      0.2723000    
 H    1.322100       2.563500     -0.8637000    
 H    3.764000       2.274500     -0.4678000    
 H    3.021500      -2.505100      0.6529000    
 H  -0.9152000       1.644400     -0.9461000    
 H    5.244800      -1.611500      0.7111000    
 H   -2.626900       1.031500      0.2164000    
 H    7.907900      0.6242000      0.4891000    
 H    7.087900     -0.7680000     -0.2092000    
 H    6.860400     -0.3228000       1.539800    
 H   -4.303900      -1.508400     -0.2950000    
 H   -7.678000       1.247600     -0.2747000    
 H   -7.532700      0.8330000       1.471100    
 H   -8.394300     -0.2519000      0.3569000    


%chk=000131070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131070

0 1
O 6.035618 0.924641 -0.006216
O -1.862625 -2.139273 0.344782
O -6.524035 -0.352332 0.104774
O -5.338820 1.644333 -0.161191
C 2.104271 -0.672371 0.169911
C 2.344958 0.751984 0.008531
C 0.765564 -1.152620 0.222672
C -0.335812 -0.282219 0.121484
C 1.209090 1.627112 -0.092693
C 3.683123 1.234152 -0.044226
C 3.232838 -1.551287 0.270828
C -0.089584 1.129884 -0.038935
C 4.763815 0.344920 0.057834
C 4.538621 -1.064995 0.217118
C -1.704557 -0.882504 0.188168
C -2.900235 0.010375 0.067160
C 7.207414 0.047393 0.092650
C -4.166290 -0.490168 0.128659
C -5.346792 0.398363 0.006327
C -7.783271 0.420897 -0.001671
H 0.564098 -2.223452 0.344395
H 1.380108 2.702831 -0.214032
H 3.887913 2.302615 -0.165004
H 3.055901 -2.626202 0.392276
H -0.924005 1.832380 -0.119491
H 5.380874 -1.758234 0.296257
H -2.775858 1.088966 -0.075730
H 8.072240 0.722090 0.016639
H 7.233137 -0.685515 -0.736337
H 7.233321 -0.482785 1.063880
H -4.336796 -1.562556 0.270211
H -7.833796 0.935379 -0.976255
H -7.838863 1.171595 0.804838
H -8.581864 -0.327294 0.095287


