%chk=000113422.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113422

0 1
 O    3.408500      0.4656000     -0.1512000    
 O    5.435000     -0.2762000      0.6734000    
 C  -0.8379000     -0.7608000     -0.7778000    
 C   0.6811000     -0.8898000     -0.6836000    
 C   -3.434900      0.2923000      0.2123000    
 C   -1.509100      -1.332900      0.4773000    
 C   -1.245000      0.7021000     -0.9942000    
 C   -3.027500      -1.170600      0.4293000    
 C   -2.763200      0.8644000      -1.042500    
 C    1.165100     -9.3800001E-02  0.5698000    
 C   -4.953900      0.4208000      0.1167000    
 C    1.046400      -2.383200     -0.5486000    
 C    1.306200     -0.3464000      -1.983600    
 C    2.664400     -0.1346000      0.9039000    
 C   -5.617800     -0.1083000       1.385800    
 C   -5.354800       1.872600     -0.1342000    
 C    2.953400      0.6412000       2.185500    
 C    4.761500      0.5201000      3.3599999E-02
 C    5.322500       1.717400     -0.6720000    
 H   -1.199400      -1.338200      -1.641300    
 H   -3.081800      0.8731000       1.076700    
 H   -1.192900     -0.8353000       1.396400    
 H   -1.299400      -2.400800      0.5930000    
 H  -0.8460000       1.093300      -1.935500    
 H  -0.8925000       1.357900     -0.1939000    
 H   -3.433900      -1.798500     -0.3739000    
 H   -3.425600      -1.557700       1.373000    
 H   -2.968200       1.934500      -1.150800    
 H   -3.153400      0.3673000      -1.939800    
 H   0.9200000      0.9662000      0.4540000    
 H   0.6697000     -0.4510000       1.474300    
 H   -5.325800     -0.1759000     -0.7267000    
 H   0.5256000      -2.991600      -1.296600    
 H   0.8146000      -2.782300      0.4439000    
 H    2.120400      -2.541000     -0.7016000    
 H    1.313600      0.7479000      -2.016900    
 H   0.7695000     -0.7123000      -2.866700    
 H    2.344700     -0.6760000      -2.098000    
 H    2.982300      -1.176100       1.029600    
 H   -5.184700      0.3421000       2.285400    
 H   -6.689600      0.1209000       1.384800    
 H   -5.538700      -1.196300       1.467100    
 H   -4.881900       2.552000      0.5832000    
 H   -6.439800       1.994900     -3.8600001E-02
 H   -5.100800       2.199000      -1.147200    
 H    2.309800      0.2994000       3.003200    
 H    3.986300      0.5232000       2.525600    
 H    2.786700       1.714900       2.041300    
 H    4.886000       2.629400     -0.2571000    
 H    5.118600       1.645200      -1.743200    
 H    6.405800       1.750900     -0.5248000    


%chk=000113422-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113422

0 1
O 3.406629 1.005114 0.218729
O 5.314657 -0.171472 -0.442097
C -0.763348 -0.727313 -0.487565
C 0.797056 -0.961115 -0.380783
C -3.536367 0.384561 0.155142
C -1.565791 -1.163943 0.767585
C -1.177165 0.723718 -0.849881
C -3.093242 -1.049905 0.547248
C -2.704519 0.852513 -1.068844
C 1.377413 -0.202398 0.856802
C -5.074980 0.481704 -0.102433
C 1.071191 -2.486336 -0.232834
C 1.479816 -0.488193 -1.696154
C 2.910850 -0.190573 1.002769
C -5.905118 0.001967 1.115632
C -5.514938 1.917776 -0.485356
C 3.390485 -0.017652 2.450556
C 4.622047 0.874289 -0.453577
C 4.949604 2.144643 -1.210503
H -1.100664 -1.375554 -1.330059
H -3.297440 1.060371 1.009073
H -1.285053 -0.522246 1.628211
H -1.318816 -2.204930 1.049118
H -0.656013 1.058658 -1.765571
H -0.872752 1.415819 -0.037346
H -3.401992 -1.751550 -0.257754
H -3.612687 -1.372991 1.468631
H -2.942145 1.904252 -1.315307
H -2.998583 0.242861 -1.950775
H 1.042402 0.852566 0.847855
H 0.960446 -0.658388 1.775846
H -5.309350 -0.187853 -0.959929
H 0.600847 -3.046558 -1.063293
H 0.678395 -2.892959 0.716626
H 2.154976 -2.703236 -0.264633
H 1.471004 0.610354 -1.798975
H 0.963636 -0.924712 -2.573207
H 2.534742 -0.817179 -1.734284
H 3.386188 -1.082960 0.556886
H -5.648231 0.589021 2.019419
H -6.986359 0.135989 0.925163
H -5.738366 -1.065049 1.344149
H -5.229725 2.637886 0.306790
H -6.613284 1.968627 -0.605057
H -5.061812 2.257360 -1.432853
H 3.083991 -0.890017 3.056366
H 4.490776 0.058070 2.492552
H 2.954330 0.890843 2.903406
H 4.630238 3.033574 -0.644043
H 4.407020 2.146140 -2.174018
H 6.029202 2.185409 -1.418625


