%chk=000138501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138501

0 1
 O    2.069300      -1.412600      2.0999999E-03
 O   -2.336300       1.905000     -5.9000002E-03
 C  -0.5067000      -2.617000      1.3000000E-03
 C    2.515400       1.395300     -2.2000000E-03
 C  -0.2983000      -1.093500     -9.9999997E-05
 C    1.149200      0.7925000     -2.3000001E-03
 C   0.9796000     -0.5922000     -9.9999997E-05
 C   -2.017700      -2.934600     -3.0000001E-04
 C   0.1393000      -3.228600       1.263400    
 C   0.1116000      -3.333700      -1.220500    
 C    3.621800      0.5464000      0.7059000    
 C    3.031700       1.622900      -1.456100    
 C    2.522300       2.776300      0.7225000    
 C   -1.418600     -0.2983000     -2.4999999E-03
 C   3.4899998E-02   1.631600     -4.6000001E-03
 C   -1.248900       1.086200     -4.6999999E-03
 C   -3.660100       1.321800     -4.6999999E-03
 C   -4.688400       2.432600      8.7000001E-03
 H   -2.527300      -2.581600     -0.9054000    
 H   -2.531600      -2.566400      0.8961000    
 H   -2.168000      -4.022900      1.2300000E-02
 H  -0.1997000      -2.711700       2.169300    
 H  -0.1436000      -4.283300       1.368100    
 H    1.232100      -3.205100       1.259000    
 H  -0.1512000      -4.398300      -1.228300    
 H  -0.2572000      -2.893900      -2.154600    
 H    1.203400      -3.280600      -1.246000    
 H    4.498300       1.167500      0.9326000    
 H    3.271100      0.1426000       1.662700    
 H    4.021900     -0.2615000      8.6300001E-02
 H    2.357400       2.284800      -2.012100    
 H    4.027300       2.081100      -1.458100    
 H    3.091800      0.6793000      -2.010200    
 H    3.544800       3.156600      0.8381000    
 H    1.989100       3.550900      0.1609000    
 H    2.086600       2.704700       1.726200    
 H   -2.418100     -0.6953000     -5.7000001E-03
 H   0.1124000       2.712700     -3.2200001E-02
 H    2.502500      -1.296200     -0.8620000    
 H   -3.804400      0.7226000     -0.9112000    
 H   -3.798700      0.7107000      0.8947000    
 H   -5.703900       2.026700      1.0200000E-02
 H   -4.559300       3.066300      0.8924000    
 H   -4.567400       3.080000     -0.8661000    


%chk=000138501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138501

0 1
O 2.062810 -1.511986 -0.182466
O -2.353526 1.967347 0.186438
C -0.527385 -2.758374 -0.160973
C 2.567779 1.447627 -0.015876
C -0.333369 -1.220739 -0.078220
C 1.153038 0.798750 -0.006762
C 0.959649 -0.619590 -0.087975
C -2.026795 -3.161862 -0.128385
C 0.166909 -3.448902 1.053293
C 0.071048 -3.301020 -1.495504
C 3.404522 0.973249 1.218038
C 3.310219 1.138018 -1.357875
C 2.494110 2.996275 0.087188
C -1.455104 -0.357993 0.013424
C -0.001484 1.606385 0.082963
C -1.292355 1.040885 0.093056
C -3.725485 1.433289 0.208081
C -4.665775 2.630565 0.324605
H -2.588788 -2.742337 -0.983897
H -2.521321 -2.847544 0.809852
H -2.101803 -4.263022 -0.190561
H -0.274944 -3.098760 2.004941
H 0.025681 -4.544962 0.991063
H 1.246367 -3.234144 1.067308
H -0.070785 -4.397413 -1.549584
H -0.439497 -2.845189 -2.364519
H 1.147465 -3.082148 -1.565811
H 4.405005 1.444087 1.198493
H 2.898337 1.275112 2.152588
H 3.554927 -0.120636 1.282233
H 2.736225 1.549568 -2.207308
H 4.309886 1.610934 -1.353391
H 3.453852 0.061729 -1.568170
H 3.518938 3.410967 0.077964
H 1.945205 3.438725 -0.763387
H 2.008761 3.322064 1.024664
H -2.455847 -0.791022 0.021844
H 0.069393 2.693628 0.147450
H 2.908988 -1.006201 -0.177872
H -3.917734 0.861428 -0.724126
H -3.844715 0.745283 1.071503
H -5.717000 2.289530 0.345252
H -4.461997 3.195615 1.250254
H -4.535005 3.312584 -0.532938


