%chk=000138697.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138697

0 1
 O    1.338600       3.073600      0.9422000    
 O    3.332000      0.3773000      0.9406000    
 O   -1.993400       2.696200      0.9409000    
 O    1.992400      -2.696900      0.9407000    
 O   -3.331900     -0.3783000      0.9404000    
 O   -1.338100      -3.073400      0.9421000    
 O    1.418700       3.253800      -1.351300    
 O    3.526200      0.3993000      -1.352900    
 O   -2.107900       2.855100      -1.352700    
 O    2.108400      -2.854500      -1.352900    
 O   -3.526300     -0.3978000      -1.353100    
 O   -1.418600      -3.253700      -1.351400    
 C   0.5574000       1.278800     -0.3302000    
 C    1.386000      0.1568000     -0.3302000    
 C  -0.8286000       1.122100     -0.3303000    
 C   0.8287000      -1.121900     -0.3305000    
 C   -1.386100     -0.1565000     -0.3304000    
 C  -0.5574000      -1.278500     -0.3306000    
 C    1.141600       2.618500     -0.3301000    
 C    2.838300      0.3210000     -0.3314000    
 C   -1.696800       2.297800     -0.3311000    
 C    1.696700      -2.297700     -0.3314000    
 C   -2.838300     -0.3207000     -0.3315000    
 C   -1.141400      -2.618300     -0.3304000    
 C    1.907100       4.380800       1.074400    
 C    4.748500      0.5387000       1.071600    
 C   -2.841500       3.842100       1.072200    
 C    2.840300      -3.843000       1.071800    
 C   -4.748400     -0.5400000       1.071300    
 C   -1.906400      -4.380700       1.074200    
 H    1.249700       5.125500      0.6160000    
 H    2.900700       4.407600      0.6173000    
 H    2.003300       4.603900       2.140100    
 H    5.064300       1.480700      0.6135000    
 H    5.268100     -0.3080000      0.6135000    
 H    4.990800      0.5665000       2.137100    
 H   -3.814900       3.644900      0.6133000    
 H   -2.367600       4.715900      0.6151000    
 H   -2.987200       4.037300       2.137800    
 H    2.366600      -4.716400      0.6140000    
 H    2.985400      -4.038700       2.137400    
 H    3.813900      -3.645600      0.6135000    
 H   -4.990500     -0.5689000       2.136900    
 H   -5.064100      -1.481400      0.6122000    
 H   -5.268100      0.3074000      0.6144000    
 H   -2.002500      -4.603800       2.140000    
 H   -1.249000      -5.125400      0.6157000    
 H   -2.900100      -4.407500      0.6172000    


%chk=000138697-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138697

0 1
O 1.661837 3.147777 0.936114
O 3.560989 0.123364 0.925223
O -1.887950 3.025398 0.917379
O 1.889138 -3.025789 0.916147
O -3.561253 -0.123180 0.927174
O -1.661010 -3.149599 0.937200
O 0.312679 3.637062 -0.902607
O 3.301545 1.561084 -0.892844
O -2.996240 2.082980 -0.905958
O 2.994906 -2.083821 -0.908956
O -3.303619 -1.560399 -0.891543
O -0.314605 -3.637930 -0.903749
C 0.370486 1.368120 0.016807
C 1.370335 0.362445 0.016623
C -1.000485 1.005229 0.016396
C 0.999750 -1.006467 0.015168
C -1.371106 -0.363696 0.017765
C -0.371229 -1.369402 0.016745
C 0.754920 2.824937 -0.061360
C 2.823374 0.759435 -0.061115
C -2.069306 2.066578 -0.067335
C 2.068386 -2.067880 -0.069870
C -2.824305 -0.760483 -0.058825
C -0.755879 -2.826172 -0.061646
C 2.220516 4.520320 0.871367
C 5.028471 0.328705 0.856649
C -2.782838 4.205305 0.832852
C 2.784655 -4.205216 0.831493
C -5.028984 -0.326490 0.858363
C -2.220030 -4.521975 0.872528
H 1.405616 5.261833 0.831000
H 2.852429 4.613025 -0.027673
H 2.813385 4.625580 1.790041
H 5.261779 1.406154 0.839889
H 5.420263 -0.150420 -0.056074
H 5.421671 -0.152769 1.762212
H -3.836199 3.883238 0.786404
H -2.530747 4.785426 -0.070560
H -2.578502 4.778940 1.747021
H 2.531416 -4.786483 -0.070863
H 2.582175 -4.777943 1.746641
H 3.837744 -3.882571 0.782925
H -5.421661 0.155166 1.764054
H -5.263730 -1.403623 0.841146
H -5.420024 0.153502 -0.054228
H -2.810940 -4.627923 1.792379
H -1.405348 -5.263600 0.829747
H -2.853874 -4.613772 -0.025246


