%chk=000002579.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002579

0 1
 O  -0.8363000      -2.683800      0.4769000    
 O   -1.950600      -2.092500       2.383500    
 O   0.3102000       1.945100       1.836700    
 O    2.913100       2.113900       1.165800    
 C   -2.189000     -0.5096000     -0.6556000    
 C   -1.433100     -0.3420000      0.7146000    
 C   -2.624500      0.8185000      -1.354200    
 C   -1.409100      -1.512500      -1.555700    
 C   -2.189500      0.6289000       1.637200    
 C   -3.376600       1.697400     -0.3241000    
 C  -0.2656000      -2.129400     -0.7399000    
 C   4.5400001E-02 -4.5600001E-02  0.4790000    
 C   -2.586700       1.938900      0.9600000    
 C   0.6693000      -1.024600     -0.3216000    
 C   -1.457400      -1.775500       1.309600    
 C   -1.460400       1.628300      -1.961100    
 C   -3.602400      0.4933000      -2.506600    
 C   0.8037000       1.002500      0.9911000    
 C    2.019100     -0.9466000     -0.6409000    
 C    2.764600      0.1206000     -0.1436000    
 C    2.161800       1.086100      0.6706000    
 C    4.216700      0.2107000     -0.4829000    
 C    4.456800      0.3641000      -1.995900    
 C    5.020600     -0.9860000      5.7100002E-02
 H   -3.133900      -1.023000     -0.4065000    
 H   -1.015400      -1.048900      -2.464300    
 H   -2.100800      -2.303100      -1.872600    
 H   -1.647900      0.8164000       2.570700    
 H   -3.124900      0.1480000       1.959500    
 H   -4.328100       1.216700     -5.8600001E-02
 H   -3.639600       2.665200     -0.7698000    
 H   0.2466000      -2.927800      -1.284800    
 H   -3.208600       2.518600       1.653100    
 H   -1.720300       2.566000      0.7404000    
 H  -0.7285000       1.943100      -1.216500    
 H  -0.9273000       1.070300      -2.736200    
 H   -1.835400       2.543300      -2.435800    
 H   -4.463500     -8.1799999E-02  -2.147800    
 H   -3.988500       1.410100      -2.967000    
 H   -3.116900     -9.1100000E-02  -3.295300    
 H    2.469500      -1.714700      -1.261700    
 H    4.657800       1.101400     -1.9500000E-02
 H    1.017100       2.261800       2.423000    
 H    2.336200       2.874600       1.345800    
 H    4.138000     -0.5222000      -2.554800    
 H    5.521400      0.5209000      -2.201500    
 H    3.907900       1.226000      -2.391400    
 H    4.877100      -1.095100       1.137800    
 H    6.091100     -0.8433000     -0.1267000    
 H    4.725300      -1.927800     -0.4176000    


%chk=000002579-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002579

0 1
O -0.851340 -2.753821 0.302000
O -1.914384 -2.247578 2.279191
O 0.553672 1.942907 1.875738
O 3.045978 2.055605 1.076591
C -2.250845 -0.468722 -0.678987
C -1.425858 -0.377810 0.688970
C -2.669674 0.916630 -1.288477
C -1.521473 -1.434048 -1.663966
C -2.192146 0.515912 1.690285
C -3.413037 1.725816 -0.181358
C -0.308830 -2.060566 -0.941328
C 0.055420 -0.060764 0.404260
C -2.587986 1.896832 1.112272
C 0.650886 -0.989860 -0.495471
C -1.427395 -1.848988 1.203535
C -1.483155 1.746844 -1.847724
C -3.672589 0.649267 -2.444645
C 0.895301 0.935788 0.937481
C 1.994515 -0.897486 -0.893280
C 2.831501 0.134485 -0.399030
C 2.255950 1.035615 0.527656
C 4.311041 0.274125 -0.755881
C 4.682746 -0.366372 -2.111873
C 5.192377 -0.306538 0.387927
H -3.208428 -0.949835 -0.385086
H -1.152395 -0.904605 -2.559622
H -2.200130 -2.235059 -2.004425
H -1.641111 0.587192 2.653102
H -3.117818 -0.023770 1.966460
H -4.360870 1.202709 0.065601
H -3.692684 2.718289 -0.586059
H 0.165481 -2.870224 -1.514475
H -3.190262 2.442226 1.864124
H -1.702206 2.526197 0.901124
H -0.745990 2.017456 -1.074620
H -0.938714 1.205538 -2.642923
H -1.868274 2.683360 -2.293811
H -4.540134 0.058944 -2.092448
H -4.055214 1.605472 -2.848739
H -3.201692 0.099366 -3.279752
H 2.402793 -1.636108 -1.590474
H 4.529054 1.358660 -0.810893
H -0.318001 1.771559 2.304078
H 2.479318 2.576833 1.707323
H 4.584731 -1.468272 -2.083516
H 5.735937 -0.139152 -2.358211
H 4.048684 0.015662 -2.933028
H 4.974051 0.197380 1.344791
H 6.264671 -0.163328 0.158093
H 5.007029 -1.389964 0.511399


