%chk=000049378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049378

0 1
 O   -1.102000      -1.077900      -1.697900    
 O    3.861100      -1.236300     -0.7674000    
 O    4.280900       1.030500      0.7843000    
 C   -2.097800     -0.1501000      0.3002000    
 C   -3.093100      0.7910000     -0.4333000    
 C   -2.748800      -1.444100      0.8335000    
 C  -0.9272000     -0.4821000     -0.6357000    
 C   -2.468600       2.105700     -0.9110000    
 C   -4.316800       1.088700      0.4395000    
 C   -1.756900      -2.325800       1.585000    
 C   0.4611000     -8.1500001E-02 -0.2603000    
 C    1.511400     -0.8559000     -0.6972000    
 C   0.6361000       1.045700      0.5093000    
 C    2.808400     -0.4824000     -0.3449000    
 C    1.933000       1.419200      0.8615000    
 C    3.019100      0.6553000      0.4344000    
 H   -1.736400      0.3781000       1.187700    
 H   -3.456300      0.2716000      -1.330900    
 H   -3.560100      -1.205300       1.528500    
 H   -3.183900      -2.017900      6.6999998E-03
 H   -1.633100       1.932600      -1.595600    
 H   -2.108900       2.702100     -6.6600002E-02
 H   -3.207000       2.708600      -1.451300    
 H   -4.960400       1.836800     -3.6899999E-02
 H   -4.934200      0.1979000      0.5883000    
 H   -4.021000       1.477700       1.419600    
 H  -0.9778000      -2.713700      0.9222000    
 H   -1.277700      -1.773700       2.399800    
 H   -2.276800      -3.185700       2.019800    
 H    1.354500      -1.746500      -1.299000    
 H  -0.1748000       1.682500      0.8392000    
 H    2.083900       2.311100       1.463800    
 H    4.680600     -0.8325000     -0.4323000    
 H    4.233100       1.839000       1.323000    


%chk=000049378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049378

0 1
O -1.123007 -1.337225 -1.432414
O 3.868519 -0.600504 -1.512075
O 4.481688 0.976202 0.589110
C -2.165806 -0.125019 0.381019
C -3.121605 0.700305 -0.552247
C -2.846939 -1.393743 0.975634
C -0.938619 -0.567208 -0.438281
C -2.405547 1.956372 -1.108459
C -4.427100 1.115683 0.165728
C -1.927912 -2.206961 1.914227
C 0.451935 -0.114550 -0.093372
C 1.511526 -0.553847 -0.938156
C 0.751646 0.717804 1.018881
C 2.832876 -0.170748 -0.679926
C 2.082975 1.105548 1.286755
C 3.115984 0.663472 0.440152
H -1.865579 0.533041 1.219336
H -3.376632 0.038499 -1.404890
H -3.748999 -1.083433 1.534177
H -3.180096 -2.031539 0.134349
H -1.497418 1.695259 -1.680938
H -2.107234 2.638025 -0.287425
H -3.077295 2.518249 -1.783294
H -5.034721 1.761261 -0.495721
H -5.050580 0.248280 0.443832
H -4.209279 1.691979 1.086719
H -1.052518 -2.610130 1.373511
H -1.552747 -1.583987 2.748992
H -2.473464 -3.062880 2.351867
H 1.280360 -1.195040 -1.793588
H -0.040709 1.069166 1.684112
H 2.309759 1.746873 2.147583
H 4.728848 -0.231245 -1.179873
H 4.651293 1.554744 1.370673


