%chk=000031284.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031284

0 1
 O    6.789200      -1.040800      0.6218000    
 O    5.644800     -0.6620000      -1.344300    
 C   -1.923900     -2.1800000E-02  0.2599000    
 C  -0.7675000      0.8850000     -0.1674000    
 C   -3.267200      0.5287000     -0.2239000    
 C   0.5797000      0.3201000      0.2869000    
 C   -4.458900     -0.3573000      0.1501000    
 C    1.732900       1.244100     -0.1120000    
 C   -5.808900      0.2289000     -0.2690000    
 C    3.075400      0.6947000      0.3718000    
 C   -6.966000     -0.6600000      0.1924000    
 C    4.283800       1.554900     -1.8500000E-02
 C   -8.314100     -9.3800001E-02 -0.2529000    
 C    5.631300      0.9924000      0.4365000    
 C   -9.464200     -0.9915000      0.1746000    
 C    5.991400     -0.3213000     -0.2214000    
 C    7.242300      -2.300300      0.1153000    
 H   -1.937200     -0.1154000       1.352400    
 H   -1.773800      -1.028000     -0.1498000    
 H  -0.7683000      0.9950000      -1.258700    
 H  -0.9106000       1.885500      0.2587000    
 H   -3.241400      0.6477000      -1.314200    
 H   -3.417600       1.529500      0.1999000    
 H   0.7315000     -0.6717000     -0.1559000    
 H   0.5738000      0.1909000       1.376200    
 H   -4.331800      -1.344800     -0.3106000    
 H   -4.457000     -0.5126000       1.236300    
 H    1.573500       2.242100      0.3136000    
 H    1.754200       1.356500      -1.202600    
 H   -5.923600       1.231400      0.1605000    
 H   -5.835300      0.3387000      -1.359800    
 H    3.051100      0.5951000       1.464300    
 H    3.205100     -0.3170000     -3.0700000E-02
 H   -6.948100     -0.7516000       1.285300    
 H   -6.838700      -1.669000     -0.2185000    
 H    4.292900       1.683600      -1.107900    
 H    4.159700       2.554900      0.4151000    
 H   -8.457700      0.9053000      0.1747000    
 H   -8.330900      1.4600000E-02  -1.343700    
 H    6.429400       1.705900      0.2043000    
 H    5.605700      0.8539000       1.523800    
 H   -9.367500      -1.989400     -0.2650000    
 H   -9.495200      -1.097100       1.263800    
 H   -10.41830     -0.5670000     -0.1530000    
 H    7.864900      -2.770500      0.8811000    
 H    7.845600      -2.151500     -0.7852000    
 H    6.389600      -2.953500     -9.3500003E-02


%chk=000031284-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031284

0 1
O 7.086914 -0.982730 0.560631
O 5.715325 -0.753815 -1.306158
C -1.986213 -0.003748 0.305164
C -0.779939 0.856179 -0.134659
C -3.342425 0.540410 -0.197521
C 0.576842 0.312014 0.366363
C -4.549545 -0.318947 0.241199
C 1.781561 1.173722 -0.074001
C -5.905181 0.225260 -0.263424
C 3.138290 0.626212 0.422154
C -7.113200 -0.633439 0.174251
C 4.333247 1.499976 -0.020875
C -8.468168 -0.089342 -0.333596
C 5.696887 0.976007 0.476588
C -9.669587 -0.953327 0.107355
C 6.121439 -0.316337 -0.205477
C 7.619114 -2.235786 -0.028419
H -2.005697 -0.068045 1.413488
H -1.848933 -1.042061 -0.063269
H -0.760988 0.920548 -1.242855
H -0.917147 1.894566 0.234000
H -3.322445 0.604685 -1.305788
H -3.479556 1.578940 0.170654
H 0.715113 -0.725164 -0.004264
H 0.558125 0.246051 1.474638
H -4.412229 -1.357584 -0.126428
H -4.570387 -0.382755 1.349509
H 1.644325 2.211399 0.297306
H 1.799438 1.238827 -1.181845
H -6.042455 1.264060 0.104005
H -5.883919 0.288931 -1.371760
H 3.122252 0.555695 1.530353
H 3.277717 -0.403660 0.037385
H -7.137416 -0.696106 1.282596
H -6.977004 -1.672805 -0.191876
H 4.351965 1.557617 -1.126126
H 4.193527 2.532400 0.356609
H -8.603678 0.948980 0.032797
H -8.442608 -0.026545 -1.440855
H 6.492782 1.721525 0.274755
H 5.698243 0.813638 1.569923
H -9.572247 -1.989005 -0.269895
H -9.736671 -1.004583 1.210681
H -10.624913 -0.544414 -0.270505
H 8.350485 -2.602497 0.705307
H 8.098789 -2.029260 -1.000130
H 6.804273 -2.964187 -0.177186


