%chk=000100424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100424

0 1
 O    3.661400       1.377500      -1.999300    
 O   -3.654700       1.366000       2.008100    
 C   0.5718000      -1.436800      0.5333000    
 C  -0.5705000      -1.431200     -0.5498000    
 C    1.434900      -2.723300      0.4848000    
 C   -1.435500      -2.716900     -0.5123000    
 C    1.447100     -0.1891000      0.4131000    
 C   -1.443700     -0.1832000     -0.4186000    
 C    2.486800      -2.799500       1.588400    
 C   -2.525500      -2.755800      -1.580000    
 C    2.152700      1.2500000E-02 -0.7513000    
 C   -2.148600      9.4999997E-03  0.7479000    
 C    1.497300      0.6861000       1.474400    
 C   -1.492800      0.7012000      -1.472100    
 C    2.951400       1.150800     -0.8606000    
 C   -2.945400       1.148100      0.8673000    
 C    2.295900       1.824400       1.365200    
 C   -2.289600       1.839800      -1.352800    
 C    3.022900       2.056700      0.1976000    
 C   -3.015800       2.063200     -0.1831000    
 H   9.6900001E-02  -1.433000       1.524500    
 H  -9.6799999E-02  -1.419600      -1.541600    
 H    1.923400      -2.833900     -0.4903000    
 H   0.7968000      -3.602200      0.6197000    
 H  -0.8034000      -3.592000     -0.6939000    
 H   -1.891900      -2.854300      0.4750000    
 H    2.986600      -3.773400       1.561600    
 H    3.256700      -2.031600       1.468300    
 H    2.029000      -2.682100       2.575700    
 H   -2.103100      -2.601100      -2.578000    
 H   -3.021300      -3.732000      -1.571400    
 H   -3.293800      -1.996900      -1.405400    
 H    2.108300     -0.6871000      -1.580200    
 H   -2.105500     -0.6978000       1.570300    
 H   0.9359000      0.5146000       2.387400    
 H  -0.9319000      0.5369000      -2.386800    
 H    2.351500       2.529700       2.189100    
 H   -2.344400       2.552400      -2.170600    
 H    3.641400       2.947300      0.1250000    
 H   -3.632900       2.954000     -0.1027000    
 H    4.156900       2.208600      -1.901500    
 H   -4.149000       2.198900       1.917600    


%chk=000100424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100424

0 1
O 3.877512 1.178549 -2.033551
O -3.873628 1.177270 2.046774
C 0.565438 -1.462486 0.541467
C -0.574702 -1.455981 -0.552820
C 1.416642 -2.766142 0.521317
C -1.430788 -2.756466 -0.542315
C 1.445417 -0.215770 0.398196
C -1.449398 -0.206734 -0.398735
C 2.529267 -2.790526 1.591984
C -2.546252 -2.767308 -1.610325
C 2.276927 -0.053536 -0.736077
C -2.279888 -0.050921 0.737197
C 1.440808 0.796665 1.391494
C -1.439799 0.814917 -1.382516
C 3.081157 1.097322 -0.872373
C -3.078058 1.102762 0.884615
C 2.248502 1.946373 1.249914
C -2.241484 1.967426 -1.229834
C 3.077183 2.108941 0.118154
C -3.069031 2.123623 -0.096347
H 0.067561 -1.411217 1.532485
H -0.077015 -1.398687 -1.543592
H 1.864723 -2.900935 -0.484478
H 0.751621 -3.633755 0.687521
H -0.769434 -3.625069 -0.717796
H -1.876806 -2.898521 0.463422
H 3.066229 -3.756955 1.577713
H 3.268149 -1.986809 1.427629
H 2.105671 -2.654485 2.605484
H -2.124817 -2.623732 -2.623692
H -3.086711 -3.731873 -1.603321
H -3.281771 -1.962432 -1.436835
H 2.319043 -0.811085 -1.526060
H -2.325625 -0.815618 1.520038
H 0.793234 0.687449 2.268589
H -0.792781 0.710708 -2.260631
H 2.234044 2.723355 2.022386
H -2.223092 2.751632 -1.994889
H 3.705289 3.002982 0.009313
H -3.692352 3.019925 0.021116
H 4.404875 2.015494 -2.036000
H -4.396359 2.017052 2.057381


