%chk=000052847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052847

0 1
 O   -3.281800     -0.6607000     -0.6504000    
 O   -3.894100       1.120900      0.7525000    
 C   -1.607200      0.9493000      1.6799999E-02
 C   -3.062300      0.7237000     -0.3460000    
 C  -0.6876000      0.4530000      -1.122800    
 C   -4.086200      -1.144800      0.4289000    
 C   -4.864000      7.8199998E-02  0.8506000    
 C   -1.363700       2.432600      0.3305000    
 C   0.7297000      0.1592000     -0.6950000    
 C   -4.953000      -2.298300     -2.8200001E-02
 C    1.678500       1.167700     -0.7492000    
 C    1.056800      -1.114200     -0.2563000    
 C    3.332800     -0.3809000      8.9000002E-02
 C    4.733300     -0.6718000      0.5111000    
 C    2.988500      0.8960000     -0.3548000    
 C    2.366800      -1.386000      0.1383000    
 C    5.170200      0.1716000       1.723800    
 C    5.743500     -0.4957000     -0.6386000    
 H   -1.385600      0.3760000      0.9275000    
 H   -3.347600       1.310400      -1.227300    
 H  -0.6796000       1.183400      -1.943500    
 H   -1.082800     -0.4650000      -1.576000    
 H   -3.407100      -1.468000       1.227200    
 H   -5.684200      0.3118000      0.1623000    
 H   -5.254600      1.2700000E-02   1.869500    
 H   -1.544500       3.059100     -0.5495000    
 H  -0.3365000       2.603600      0.6651000    
 H   -2.019300       2.783000       1.134500    
 H   -5.581200      -2.007300     -0.8773000    
 H   -4.328700      -3.129500     -0.3727000    
 H   -5.597400      -2.654800      0.7808000    
 H    1.423300       2.164000      -1.098600    
 H   0.3108000      -1.902600     -0.2117000    
 H    4.798400      -1.723000      0.8238000    
 H    3.724900       1.693500     -0.4026000    
 H    2.617400      -2.386000      0.4821000    
 H    5.212700       1.239900       1.486000    
 H    6.165200     -0.1337000       2.065100    
 H    4.473400      4.1400000E-02   2.559400    
 H    5.459300      -1.106100      -1.503000    
 H    6.744300     -0.8077000     -0.3211000    
 H    5.808800      0.5462000     -0.9705000    


%chk=000052847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052847

0 1
O -3.377473 -0.901381 -0.440751
O -3.879764 0.780878 1.130914
C -1.558965 0.607521 0.336498
C -3.038902 0.488040 -0.034809
C -0.677928 0.180334 -0.877549
C -4.665706 -1.277084 0.217760
C -5.133138 0.047913 0.872540
C -1.239385 2.039997 0.817700
C 0.795657 0.038389 -0.524961
C -5.628919 -1.857017 -0.819399
C 1.766383 0.962180 -0.989441
C 1.241014 -1.032291 0.291986
C 3.575694 -0.245980 0.168354
C 5.053478 -0.409509 0.536196
C 3.130317 0.823311 -0.651041
C 2.604584 -1.169890 0.631824
C 5.588095 0.811915 1.330754
C 5.928156 -0.675166 -0.718359
H -1.385867 -0.105541 1.166108
H -3.315029 1.163716 -0.877681
H -0.799733 0.926716 -1.687978
H -1.069123 -0.782578 -1.256932
H -4.425641 -2.029072 0.994420
H -5.783042 0.621564 0.177951
H -5.637540 -0.084987 1.841631
H -1.436629 2.778705 0.016052
H -0.174860 2.121658 1.098205
H -1.857478 2.308540 1.691032
H -5.843554 -1.114682 -1.608492
H -5.190648 -2.749949 -1.296573
H -6.582029 -2.154698 -0.342269
H 1.447507 1.797676 -1.625567
H 0.512976 -1.768341 0.656511
H 5.135088 -1.298288 1.194702
H 3.853378 1.555410 -1.031633
H 2.923954 -2.009396 1.262799
H 5.542792 1.733356 0.720636
H 6.642695 0.654100 1.625002
H 4.993554 0.984152 2.245962
H 5.575749 -1.565930 -1.268847
H 6.983754 -0.838058 -0.430491
H 5.896128 0.184868 -1.413065


