%chk=000077947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077947

0 1
 O    1.591400      4.0399998E-02 -0.5554000    
 O   -1.581200      5.1800001E-02  0.5513000    
 O    1.074800     -0.7760000      0.5386000    
 O   -1.084800     -0.7872000     -0.5350000    
 C    2.648000      0.7994000      1.2700000E-02
 C   -2.648300      0.7991000     -1.2500000E-02
 C  -9.9999997E-05  -1.560800     -1.9999999E-04
 C    3.703000     -0.1647000      0.5537000    
 C    3.234900       1.671900      -1.094700    
 C    2.076300       1.666200       1.133700    
 C   -3.713000     -0.1756000     -0.5135000    
 C   -3.214500       1.694500       1.087600    
 C   -2.097800       1.642500      -1.161500    
 C   0.5276000      -2.444600      -1.133300    
 C  -0.5164000      -2.456900       1.128600    
 H    3.336900     -0.7558000       1.400300    
 H    4.593100      0.3754000      0.8946000    
 H    4.009100     -0.8797000     -0.2187000    
 H    2.468500       2.331300      -1.518000    
 H    3.603400       1.055000      -1.922400    
 H    4.060900       2.290600     -0.7290000    
 H    1.225800       2.256600      0.7734000    
 H    2.832700       2.355400       1.525000    
 H    1.708700       1.071800       1.977400    
 H   -4.004600     -0.8745000      0.2790000    
 H   -4.609500      0.3575000     -0.8488000    
 H   -3.362800     -0.7842000      -1.354500    
 H   -2.440300       2.362200       1.482800    
 H   -3.567300       1.094900       1.934500    
 H   -4.047200       2.305700      0.7247000    
 H   -1.746000       1.030800      -1.999600    
 H   -2.861400       2.323600      -1.552800    
 H   -1.240700       2.239900     -0.8294000    
 H  -0.2445000      -3.138100      -1.484900    
 H    1.407100      -3.015900     -0.8179000    
 H   0.8206000      -1.844000      -2.001800    
 H   0.2664000      -3.137000       1.482500    
 H   -1.384300      -3.042800      0.8082000    
 H  -0.8251000      -1.862400       1.995900    


%chk=000077947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077947

0 1
O 2.262724 -0.592055 -0.591472
O -1.323763 0.193908 0.618916
O 1.292478 -1.213373 0.437073
O -0.763614 -0.482001 -0.660906
C 2.812315 0.677499 -0.003916
C -2.612911 0.854187 0.230531
C 0.062729 -1.628205 -0.253135
C 3.502927 0.374916 1.341096
C 3.835716 1.059744 -1.097186
C 1.698331 1.730280 0.136628
C -3.645059 -0.204910 -0.206580
C -3.003351 1.515976 1.570783
C -2.358423 1.904189 -0.870058
C 0.337003 -2.325775 -1.596782
C -0.615375 -2.525635 0.796998
H 2.762312 0.040093 2.086063
H 4.004611 1.282334 1.724699
H 4.257844 -0.421263 1.217068
H 3.335031 1.193466 -2.072008
H 4.611336 0.281355 -1.201314
H 4.324364 2.011596 -0.821833
H 1.254880 1.957058 -0.848874
H 2.107370 2.662939 0.568285
H 0.892997 1.354046 0.788466
H -3.815735 -0.937414 0.602388
H -4.609614 0.275738 -0.452456
H -3.284642 -0.741954 -1.100080
H -2.236096 2.244227 1.885376
H -3.117694 0.758400 2.365574
H -3.964755 2.046682 1.450483
H -2.006039 1.417806 -1.794655
H -3.289321 2.457051 -1.093386
H -1.588687 2.624095 -0.541351
H -0.587873 -2.790396 -1.976663
H 1.103747 -3.103172 -1.444471
H 0.716394 -1.601667 -2.333565
H -0.042743 -3.460519 0.910420
H -1.639325 -2.761522 0.462131
H -0.670689 -2.011425 1.768312


