%chk=000039912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039912

0 1
 O   -4.579600     -0.9495000     -0.4356000    
 O   -2.528100      -1.896500     -0.2621000    
 C    3.757100     -0.4763000     -0.3740000    
 C    3.055900      0.7324000      0.2769000    
 C    1.550800      0.6822000      0.1577000    
 C   -1.209300      0.5889000     -6.1299998E-02
 C   -2.694900      0.5390000     -0.1792000    
 C    3.313700      -1.804400      0.2449000    
 C    5.274800     -0.3283000     -0.2387000    
 C   0.9382000       1.259200     -0.9426000    
 C   0.8124000      5.9500001E-02   1.150800    
 C  -0.4516000       1.212200      -1.052800    
 C  -0.5772000      1.2500000E-02   1.040400    
 C   -3.432900       1.262400      0.9659000    
 C   -3.229300     -0.8934000     -0.2903000    
 H    3.511900     -0.5011000      -1.443700    
 H    3.420700       1.662100     -0.1801000    
 H    3.332000      0.8033000       1.337800    
 H   -2.988000       1.028700      -1.118300    
 H    3.911900      -2.632100     -0.1526000    
 H    3.435200      -1.799500       1.333400    
 H    2.269800      -2.032200      9.8000001E-03
 H    5.617200      0.6023000     -0.7035000    
 H    5.581400     -0.3158000      0.8128000    
 H    5.792700      -1.157100     -0.7330000    
 H    1.520200       1.744600      -1.720600    
 H    1.292900     -0.3875000       2.016200    
 H  -0.9275000       1.666000      -1.918000    
 H   -1.149700     -0.4759000       1.824400    
 H   -3.313000      0.7355000       1.919100    
 H   -3.050900       2.281500       1.091100    
 H   -4.507100       1.331000      0.7631000    
 H   -4.900900      -1.873400     -0.5084000    


%chk=000039912-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039912

0 1
O -3.589918 -1.410870 -1.250350
O -3.633553 -1.415861 1.069497
C 3.772978 -0.463950 -0.420996
C 3.054432 0.612625 0.453585
C 1.539405 0.611058 0.314735
C -1.312904 0.579240 0.014112
C -2.842697 0.606939 -0.140010
C 3.390794 -1.897942 0.011900
C 5.304850 -0.259185 -0.365843
C 0.920928 1.121223 -0.856103
C 0.700322 0.084373 1.330188
C -0.482482 1.102981 -1.006803
C -0.703879 0.066870 1.187216
C -3.513633 1.542429 0.898196
C -3.390538 -0.810765 0.001734
H 3.438853 -0.319116 -1.470004
H 3.452899 1.607157 0.167851
H 3.338182 0.446235 1.511945
H -3.081865 0.948199 -1.161872
H 3.869297 -2.648633 -0.644091
H 3.726688 -2.093133 1.049241
H 2.298065 -2.054343 -0.027279
H 5.591658 0.750212 -0.716759
H 5.677346 -0.376237 0.670380
H 5.828315 -1.001391 -0.996606
H 1.544567 1.541521 -1.655353
H 1.154875 -0.317579 2.244107
H -0.937393 1.501198 -1.922162
H -1.328039 -0.355481 1.983659
H -3.342112 1.171754 1.922711
H -3.089941 2.557940 0.815690
H -4.604802 1.600587 0.734249
H -3.901897 -2.347756 -1.117264


