%chk=000114983.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114983

0 1
 O   -4.158800      0.6056000       1.780600    
 O   -4.925300      0.4823000      -1.726200    
 C   0.4310000      0.8371000      9.9500000E-02
 C  -0.2477000     -0.4118000      8.3200000E-02
 C   -1.693200     -0.3501000      3.9999999E-04
 C   -2.387700      0.8557000      0.2443000    
 C    1.842900      0.9115000     -4.7200002E-02
 C  -0.2928000       2.052700      0.2547000    
 C   -3.891900      0.8860000      0.4049000    
 C   0.5736000      -1.607200      0.1492000    
 C    2.617200     -0.2644000     -0.1834000    
 C    1.981400      -1.536800     -5.4800000E-02
 C   -1.675600       2.039700      0.3937000    
 C   -4.628400     -0.1307000     -0.4710000    
 C    2.483600       2.186800     -6.8099998E-02
 C   -2.518200      -1.473400     -0.5038000    
 C   0.3655000       3.284000      0.2744000    
 C   -3.834900      -1.370900     -0.7291000    
 C    1.739100       3.351900      0.1032000    
 C    4.012700     -0.1005000     -0.3907000    
 C   5.1399998E-02  -2.884100      0.4927000    
 C    3.862400       2.290200     -0.2597000    
 C    2.719900      -2.753000     -7.8400001E-02
 C    4.624400       1.149900     -0.4321000    
 C   0.8061000      -4.056400      0.4909000    
 C    2.143200      -3.994100      0.1730000    
 H   -4.264400       1.897100      0.1977000    
 H   -2.217800       2.967800      0.5691000    
 H   -5.581400     -0.4155000     -9.8999999E-03
 H   -2.038600      -2.383100     -0.8396000    
 H  -0.1876000       4.212700      0.4019000    
 H   -4.357800      -2.214400      -1.172600    
 H    2.217400       4.329100      0.1019000    
 H    4.672800     -0.9540000     -0.5176000    
 H  -0.9764000      -2.993900      0.8290000    
 H    4.355800       3.259400     -0.2821000    
 H    3.789900      -2.763600     -0.2679000    
 H    5.696400       1.226600     -0.5874000    
 H   -5.116600      0.7016000       1.918300    
 H   0.3439000      -5.004200      0.7484000    
 H    2.750300      -4.893600      0.1600000    
 H   -5.528900       1.225200      -1.554400    


%chk=000114983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114983

0 1
O -4.149610 0.416355 1.829884
O -4.880491 0.480980 -1.870346
C 0.439297 0.890123 0.163013
C -0.262109 -0.369399 0.103373
C -1.693763 -0.351109 -0.002534
C -2.400837 0.866010 0.276025
C 1.873516 0.947902 -0.025808
C -0.294596 2.117773 0.342533
C -3.907599 0.830144 0.422163
C 0.544347 -1.603604 0.165159
C 2.634575 -0.253429 -0.247491
C 1.963326 -1.554104 -0.073728
C -1.709639 2.062628 0.469709
C -4.620097 -0.147450 -0.550100
C 2.538731 2.230431 -0.050551
C -2.477116 -1.469393 -0.557428
C 0.408367 3.376734 0.384068
C -3.809690 -1.381669 -0.838264
C 1.774875 3.433271 0.187713
C 4.015128 -0.138214 -0.549643
C -0.026469 -2.849578 0.573251
C 3.932477 2.294582 -0.328373
C 2.708747 -2.769617 -0.037593
C 4.656728 1.120440 -0.591778
C 0.730450 -4.029472 0.620148
C 2.105867 -3.996421 0.275911
H -4.324571 1.849117 0.259078
H -2.264316 2.983811 0.686054
H -5.593655 -0.432714 -0.084832
H -1.941507 -2.365517 -0.880683
H -0.170820 4.291966 0.552041
H -4.320399 -2.189819 -1.372675
H 2.303037 4.393713 0.194455
H 4.611127 -1.032052 -0.753260
H -1.062757 -2.874879 0.917490
H 4.429003 3.271547 -0.349626
H 3.786616 -2.750162 -0.220872
H 5.725099 1.174644 -0.826927
H -5.129968 0.401032 1.991923
H 0.264729 -4.965669 0.946174
H 2.704996 -4.913053 0.301097
H -5.554130 1.201323 -1.753751


