%chk=000111542.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111542

0 1
 O   0.2561000       3.134100     -0.1375000    
 O  -0.4144000      -1.952400      -1.991700    
 O   -4.337700       2.778400       1.043800    
 O    3.179000      -2.969400      0.9542000    
 O   -5.433900      0.8723000      -1.510100    
 O    3.656600      6.0100000E-02   2.407800    
 C   0.1110000      0.8519000      -1.849200    
 C   -1.060900       1.367200      -1.081000    
 C   0.9296000     -0.1795000      -1.100200    
 C   -2.289700      0.7165000      -1.192800    
 C    1.979800      0.2571000     -0.3107000    
 C  -0.9368000       2.486800     -0.2582000    
 C   0.6195000      -1.523400      -1.214700    
 C   -3.361100       1.203300     -0.4782000    
 C    2.743100     -0.6798000      0.3858000    
 C   -2.041400       2.955500      0.4528000    
 C    1.382900      -2.460200     -0.5183000    
 C   -3.270100       2.304800      0.3413000    
 C    2.444700      -2.038500      0.2820000    
 C   -4.668000      0.4915000     -0.6122000    
 C    3.847400     -0.2186000       1.215700    
 C   -5.050800     -0.6064000      0.2612000    
 C    5.234200     -6.1999999E-02  0.6853000    
 C   -4.185000      -1.030500       1.269200    
 C    5.472500     -0.3653000     -0.6354000    
 C   -6.284000      -1.235700      9.0599999E-02
 C    6.219400      0.3793000       1.538200    
 C   0.2929000       4.269200      0.7249000    
 C  -0.1193000      -2.253200      -3.354100    
 C   -4.552200      -2.083900       2.106700    
 C    6.768300     -0.2191000      -1.130800    
 C   -6.651200      -2.288900      0.9281000    
 C    7.515100      0.5255000       1.042900    
 C   -5.785200      -2.713000       1.936200    
 C    7.789500      0.2262000     -0.2916000    
 H   0.7649000       1.683500      -2.147700    
 H  -0.2280000      0.4569000      -2.814500    
 H   -2.403000     -0.1502000      -1.836900    
 H    2.220500       1.313600     -0.2344000    
 H   -2.004300       3.820000       1.107000    
 H    1.144200      -3.517600     -0.6032000    
 H   -4.064400       3.556700       1.558700    
 H    2.826300      -3.854400      0.7589000    
 H   -3.216300     -0.5696000       1.437000    
 H    4.705400     -0.7141000      -1.317900    
 H   -6.976700     -0.9248000     -0.6868000    
 H    6.030200      0.6182000       2.580000    
 H   8.4399998E-02   3.994000       1.764400    
 H  -0.3590000       5.072400      0.3648000    
 H    1.316500       4.657700      0.7003000    
 H   -1.059800      -2.278100      -3.911100    
 H   0.5373000      -1.502700      -3.805800    
 H   0.3520000      -3.238900      -3.418200    
 H   -3.878200      -2.414600       2.891600    
 H    6.982500     -0.4521000      -2.169800    
 H   -7.611300      -2.779100      0.7956000    
 H    8.310600      0.8723000       1.696100    
 H   -6.071300      -3.533100       2.588200    
 H    8.798400      0.3400000     -0.6772000    


%chk=000111542-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111542

0 1
O 0.175847 2.818054 0.147029
O -0.171030 -1.525896 -2.459546
O -4.385076 1.744267 1.655368
O 4.060897 -2.115759 -0.003125
O -5.117461 -0.030693 -1.967619
O 3.974726 1.876964 0.931370
C -0.082026 1.279189 -2.183444
C -1.221035 1.403766 -1.172579
C 1.044104 0.378941 -1.679961
C -2.447114 0.745474 -1.347540
C 2.172964 0.905683 -1.035116
C -1.055520 2.178373 0.017155
C 0.962855 -1.041269 -1.799909
C -3.507681 0.789250 -0.397291
C 3.221424 0.110172 -0.494606
C -2.095151 2.283272 0.969061
C 1.975066 -1.874905 -1.267861
C -3.313999 1.595302 0.757950
C 3.089656 -1.300400 -0.609869
C -4.766621 0.053006 -0.744785
C 4.291925 0.832273 0.268311
C -5.578462 -0.657178 0.301566
C 5.727800 0.402065 0.216888
C -5.003394 -1.146383 1.502893
C 6.257155 -0.328675 -0.878280
C -6.945560 -0.925623 0.026783
C 6.597880 0.820356 1.258819
C 0.542901 3.415461 1.437333
C -0.329064 -2.975745 -2.603682
C -5.782700 -1.889701 2.414299
C 7.633096 -0.635366 -0.930457
C -7.729981 -1.650385 0.946343
C 7.968701 0.497329 1.216874
C -7.149352 -2.136778 2.142857
C 8.490704 -0.230244 0.119662
H 0.337302 2.279548 -2.391812
H -0.491478 0.874655 -3.124731
H -2.609459 0.147626 -2.249998
H 2.247676 1.988475 -0.907912
H -1.974867 2.916566 1.855875
H 1.898399 -2.965958 -1.340921
H -4.148794 2.367737 2.386412
H 3.822965 -3.072275 -0.089451
H -3.946128 -0.954531 1.713294
H 5.593172 -0.640995 -1.690650
H -7.367115 -0.561499 -0.916007
H 6.176780 1.402336 2.085273
H 0.363567 2.704500 2.265619
H -0.016168 4.354790 1.611860
H 1.621550 3.614906 1.359698
H -1.281047 -3.108094 -3.137440
H 0.497347 -3.411237 -3.198189
H -0.384993 -3.471277 -1.615435
H -5.328938 -2.275392 3.334230
H 8.038254 -1.187300 -1.785889
H -8.787600 -1.841662 0.733225
H 8.631662 0.813274 2.029947
H -7.756135 -2.707062 2.855717
H 9.558370 -0.475426 0.081496


