%chk=000069781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069781

0 1
 O  -0.1619000      -2.480900       1.475000    
 O    2.200500       1.561400      0.5440000    
 O   -3.621900     -0.3175000      -1.002000    
 C   0.4181000      -1.328100       1.907400    
 C  -0.9715000      -2.413000      0.3535000    
 C    1.603400      0.7029000       1.452000    
 C   -2.708600      -1.319300     -0.8808000    
 C    1.019400     -0.4636000      0.9926000    
 C   -1.893400      -1.387200      0.2490000    
 C   0.4111000      -1.011100       3.265800    
 C  -0.8370000      -3.373000     -0.6331000    
 C    1.606500       1.034700       2.794800    
 C   -2.587900      -2.278200      -1.886800    
 C    1.005300      0.1704000       3.709500    
 C   -1.652200      -3.304900      -1.763000    
 C    3.006700       1.015600     -0.4068000    
 C   -3.212000      0.9682000     -0.6909000    
 C    3.941200      4.1900001E-02 -5.4200001E-02
 C   -1.993400       1.420000      -1.164100    
 C    2.898800       1.430300      -1.734400    
 C   -4.032000       1.767100      8.5400000E-02
 C    4.767900     -0.5169000      -1.028700    
 C   -1.580400       2.714700     -0.8500000    
 C    3.725500      0.8713000      -2.708900    
 C   -3.618900       3.061900      0.3993000    
 C    4.660000     -0.1023000      -2.356100    
 C   -2.393100       3.535600     -6.8400003E-02
 H    1.025100     -0.7063000     -6.6299997E-02
 H   -2.018300     -0.6706000       1.056200    
 H  -5.6200001E-02  -1.680400       3.983000    
 H  -0.1085000      -4.172500     -0.5382000    
 H    2.068800       1.954000       3.141300    
 H   -3.219800      -2.229900      -2.769400    
 H   0.9996000      0.4173000       4.767100    
 H   -1.557900      -4.051200      -2.546400    
 H    4.063800     -0.2836000      0.9755000    
 H   -1.352200      0.8086000      -1.792300    
 H    2.171700       2.187500      -2.015100    
 H   -4.986100       1.399300      0.4507000    
 H    5.499200      -1.271200     -0.7535000    
 H  -0.6274000       3.084700      -1.216900    
 H    3.641300       1.194000      -3.742500    
 H   -4.251600       3.701200       1.008000    
 H    5.304400     -0.5367000      -3.114800    
 H   -2.071700       4.543900      0.1757000    


%chk=000069781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069781

0 1
O -0.333104 -2.622144 1.908768
O 2.548549 1.358238 1.207577
O -3.290456 -0.354731 -1.355118
C 0.458675 -1.534290 2.350800
C -1.082209 -2.565520 0.706066
C 1.934422 0.359217 2.002081
C -2.534163 -1.455494 -0.887826
C 1.093780 -0.639418 1.459694
C -1.735441 -1.388379 0.276732
C 0.654206 -1.449762 3.747032
C -1.231742 -3.789298 0.017719
C 2.140547 0.475433 3.394388
C -2.703472 -2.665092 -1.597962
C 1.496102 -0.437787 4.256375
C -2.053534 -3.827191 -1.129821
C 2.932849 1.117285 -0.135562
C -2.833530 0.979688 -1.183574
C 3.456730 -0.119454 -0.580744
C -1.476317 1.348135 -1.335172
C 2.866434 2.233303 -0.999437
C -3.833016 1.950458 -0.956239
C 3.900358 -0.232526 -1.917436
C -1.123396 2.712238 -1.237379
C 3.319760 2.106046 -2.330427
C -3.465204 3.311068 -0.867862
C 3.832068 0.872518 -2.797845
C -2.110645 3.697316 -1.002189
H 0.939720 -0.718258 0.380727
H -1.647671 -0.457489 0.843543
H 0.151682 -2.167882 4.400229
H -0.716814 -4.678464 0.390801
H 2.789982 1.269120 3.772820
H -3.336579 -2.675597 -2.489102
H 1.651185 -0.359562 5.337495
H -2.180722 -4.770689 -1.670870
H 3.530738 -0.970115 0.103618
H -0.712933 0.591349 -1.541503
H 2.480130 3.180529 -0.609941
H -4.873501 1.627606 -0.855426
H 4.308765 -1.187626 -2.265856
H -0.072718 2.998430 -1.355000
H 3.272057 2.970704 -3.001492
H -4.237552 4.067521 -0.690497
H 4.179238 0.775708 -3.831726
H -1.828856 4.752957 -0.928262


