%chk=000027686.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027686

0 1
 O   -3.647600     -0.6985000     -0.3371000    
 O   -1.353900      -3.241000     -0.3002000    
 O   -3.912600      -4.339400     -0.2421000    
 O   -1.147100       3.327900      0.6850000    
 O    3.649200     -0.9685000     -0.8482000    
 O   -2.240800      0.6135000      -2.154800    
 O    2.154000      -1.393000       2.922000    
 O   0.3648000       5.293800      0.1234000    
 O    5.937000      5.8600001E-02  -1.269100    
 O   0.5933000       4.745400      -2.085100    
 O    6.399100      0.4289000      0.9399000    
 C   -3.687200      -3.059200     -0.8368000    
 C   -3.896600      -1.983600      0.2230000    
 C   -2.264300      -3.036900      -1.379400    
 C   -3.211900      0.2740000      0.5228000    
 C   -2.380900       1.313700      0.1126000    
 C  -0.1196000      -2.678600     -0.4164000    
 C   -1.965100       2.280400       1.029300    
 C    1.839200      -1.702500      0.5981000    
 C   0.5732000      -2.278300      0.7270000    
 C    2.409300      -1.528400     -0.6637000    
 C   -3.628600      0.1970000       1.848800    
 C   -1.926800       1.414500      -1.285100    
 C   0.4493000      -2.504800      -1.679100    
 C   -2.381300       2.205900       2.358500    
 C    1.714200      -1.929600      -1.804600    
 C   -3.213400       1.163000       2.766900    
 C    2.593300      -1.269600       1.787000    
 C   -1.048800       2.558500      -1.605000    
 C  -0.7281000       3.413000     -0.6260000    
 C    3.921500     -0.6738000       1.536100    
 C    4.346900     -0.5671000      0.2714000    
 C   0.1435000       4.537200     -0.9722000    
 C    5.666900      2.7500000E-02  5.2999999E-02
 H   -4.397700      -2.922800      -1.659800    
 H   -3.244900      -2.205900       1.079200    
 H   -4.934800      -2.031400      0.5752000    
 H   -2.096000      -2.082300      -1.891000    
 H   -2.129900      -3.856800      -2.095000    
 H   0.1180000      -2.418000       1.704000    
 H   -4.305000     -0.5693000       2.214500    
 H  -4.6599999E-02  -2.830000      -2.589000    
 H   -2.064400       2.954500       3.079400    
 H    2.152500      -1.803400      -2.790800    
 H   -3.545200       1.108100       3.799800    
 H   -3.804100      -5.008900     -0.9391000    
 H  -0.7029000       2.651300      -2.627900    
 H    4.492700     -0.3487000       2.397900    
 H   0.9469000       6.059800     -6.8899997E-02
 H    6.816000      0.4518000      -1.456600    


%chk=000027686-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027686

0 1
O -3.413827 -0.579973 -0.129876
O -0.984149 -2.960691 -0.151109
O -3.441921 -4.271343 -0.035465
O -2.643146 4.215004 0.168553
O 4.411130 -1.460173 -0.553062
O -1.746528 0.681509 -1.889243
O 3.277818 -4.174342 2.442939
O -1.904124 6.582964 -0.679999
O 6.869487 -0.635616 -0.903522
O -0.915828 5.731213 -2.608809
O 7.694119 -1.909059 0.861366
C -3.331918 -2.925229 -0.601588
C -3.659653 -1.892210 0.499375
C -1.959789 -2.661925 -1.230240
C -3.502777 0.586360 0.603638
C -2.928665 1.755164 -0.010817
C 0.351245 -2.565762 -0.300945
C -3.116653 2.989172 0.682723
C 2.630159 -2.773465 0.565087
C 1.262012 -3.123476 0.616336
C 3.060057 -1.854336 -0.431514
C -4.137088 0.664312 1.863380
C -2.119882 1.730033 -1.262528
C 0.796296 -1.634358 -1.286642
C -3.770447 3.090823 1.926932
C 2.155501 -1.284979 -1.349841
C -4.263383 1.913614 2.514697
C 3.609299 -3.351339 1.527993
C -1.713415 3.060758 -1.748529
C -1.973903 4.209779 -1.047742
C 4.990567 -2.890481 1.333781
C 5.327511 -1.998356 0.341021
C -1.539773 5.552890 -1.537988
C 6.733691 -1.533703 0.149992
H -4.096033 -2.870010 -1.395599
H -2.987362 -2.017824 1.369955
H -4.714873 -1.995515 0.813945
H -1.901700 -1.607637 -1.551671
H -1.772014 -3.353186 -2.073049
H 0.931470 -3.834573 1.379256
H -4.546294 -0.235078 2.330626
H 0.092258 -1.161330 -1.976261
H -3.870757 4.070240 2.399936
H 2.521598 -0.571651 -2.093166
H -4.764078 1.963731 3.486783
H -2.587320 -4.465384 0.433095
H -1.164855 3.125497 -2.691106
H 5.776341 -3.263499 1.995136
H -1.589387 7.448846 -1.057989
H 7.825686 -0.367405 -0.976444


