%chk=000053271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053271

0 1
 O    1.755400     -4.2500000E-02  -1.559300    
 O   -2.895000      5.8200002E-02 -0.9818000    
 O   -3.125700       2.594200     -0.6031000    
 O   -3.233300      -2.466100     -0.6056000    
 C   0.9072000     -2.3600001E-02  0.6671000    
 C   0.1275000       1.265000      0.5468000    
 C   7.3399998E-02  -1.277700      0.5456000    
 C   -1.173100       1.296000      2.8800000E-02
 C   -1.227200      -1.252800      2.7400000E-02
 C    2.008200     -4.8200000E-02 -0.3556000    
 C   -1.846700      3.5599999E-02 -0.3492000    
 C    3.425500     -8.0100000E-02  0.1889000    
 C   0.7291000       2.476500      0.9267000    
 C   0.6231000      -2.514000      0.9241000    
 C   -1.854800       2.511200     -0.1161000    
 C   -1.960000      -2.437700     -0.1187000    
 C    4.477400     -6.8000004E-02 -0.9164000    
 C   4.8900001E-02   3.686800      0.7876000    
 C  -0.1079000      -3.694100      0.7838000    
 C   -1.240900       3.703700      0.2641000    
 C   -1.397200      -3.655600      0.2602000    
 C    5.885900     -6.6900000E-02 -0.3453000    
 H    1.345600     -3.3500001E-02   1.674900    
 H    3.537800     -0.9838000      0.7974000    
 H    3.560900      0.7937000      0.8357000    
 H    1.737800       2.485100       1.332600    
 H    1.630300      -2.565800       1.330100    
 H    4.348900     -0.9435000      -1.563900    
 H    4.344300      0.8170000      -1.550100    
 H   0.5274000       4.615200       1.085400    
 H   0.3305000      -4.642400       1.080600    
 H   -1.755900       4.655400      0.1631000    
 H   -1.960200      -4.579100      0.1545000    
 H    6.061600     -0.9576000      0.2665000    
 H    6.056200      0.8172000      0.2773000    
 H    6.623000     -5.9599999E-02  -1.154300    
 H   -3.409900       3.524000     -0.6171000    
 H   -3.566300      -1.566500     -0.7436000    


%chk=000053271-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053271

0 1
O 1.578715 0.302273 -1.512087
O -2.702060 -0.029605 -1.305152
O -3.092931 2.579657 -0.871387
O -2.836410 -2.530332 -1.053635
C 0.900705 0.135168 0.859933
C 0.042466 1.380244 0.747681
C 0.138610 -1.173076 0.753724
C -1.175706 1.349691 0.000082
C -1.056593 -1.192259 -0.019729
C 1.948952 0.133156 -0.328801
C -1.682144 0.051118 -0.512724
C 3.400280 -0.103789 0.074747
C 0.517391 2.582142 1.314947
C 0.653461 -2.364331 1.299550
C -1.894830 2.579068 -0.160908
C -1.706883 -2.453311 -0.277483
C 4.379062 -0.232322 -1.107519
C -0.206663 3.781454 1.146062
C -0.018348 -3.593771 1.068464
C -1.404502 3.781440 0.408491
C -1.180342 -3.647239 0.280119
C 5.833555 -0.442591 -0.636852
H 1.480816 0.160112 1.799799
H 3.430960 -1.009690 0.717189
H 3.698867 0.733775 0.743445
H 1.450888 2.579829 1.888359
H 1.566107 -2.342881 1.905975
H 4.058668 -1.073287 -1.750573
H 4.305999 0.673744 -1.737292
H 0.157950 4.714344 1.588820
H 0.378085 -4.518065 1.503596
H -1.969544 4.713276 0.273566
H -1.698549 -4.588539 0.077014
H 5.931971 -1.362371 -0.029319
H 6.184367 0.407350 -0.020782
H 6.518018 -0.536124 -1.499176
H -3.483050 3.492219 -0.881784
H -3.035538 -1.560778 -1.377258


