%chk=000159529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159529

0 1
 O    1.813100      0.2225000      -1.310400    
 O   -3.978500      -1.143400      0.4931000    
 O   -1.904700      -2.268900     -0.9196000    
 O  -0.2202000     -0.5057000      -2.014500    
 O   -5.438700      0.3047000     -0.5529000    
 O    6.044300      0.6464000      0.4927000    
 C   0.2234000     -0.2851000      0.3907000    
 C  -0.8398000      0.7981000      0.8004000    
 C  -0.2211000      -1.745900      0.8214000    
 C   -2.222900      0.3002000      0.5638000    
 C   -1.701000      -2.103000      0.4803000    
 C   -2.645900      -1.031700       1.006100    
 C    1.586300      6.9700003E-02   1.018500    
 C  -0.6502000       2.198100      0.1505000    
 C   0.5405000     -0.2228000      -1.101200    
 C   -3.205100      0.9655000     -2.8899999E-02
 C    2.391900      0.7122000     -9.3800001E-02
 C   -1.923400       3.063200      0.2008000    
 C   -3.119800       2.372300     -0.4767000    
 C   0.7090000      -2.858400      0.3018000    
 C   -4.346100      5.1600002E-02 -7.6200001E-02
 C    3.864600      0.4332000     -5.9000002E-03
 C    4.553300     -0.6798000     -0.5419000    
 C    4.814000       1.210500      0.6137000    
 C    5.877000     -0.5036000     -0.2118000    
 H  -0.7653000      0.9408000       1.888900    
 H  -0.1525000      -1.771100       1.919600    
 H   -1.960300      -3.064500      0.9401000    
 H   -2.691900      -1.073700       2.101000    
 H    2.100300     -0.8152000       1.406900    
 H    1.504300      0.7435000       1.879800    
 H  -0.3587000       2.111600     -0.9019000    
 H   0.1620000       2.728900      0.6603000    
 H    2.245900       1.799400     -9.4200000E-02
 H   -1.735600       4.027600     -0.2850000    
 H   -2.168500       3.278200       1.249100    
 H   -3.000800       2.401400      -1.565700    
 H   -4.038300       2.914700     -0.2282000    
 H   0.3833000      -3.831800      0.6859000    
 H   0.7011000      -2.919400     -0.7909000    
 H    1.744400      -2.722300      0.6224000    
 H   -2.844200      -2.479300      -1.056200    
 H    4.142000      -1.510400      -1.097700    
 H    4.780500       2.143800       1.157000    
 H    6.775200      -1.075500     -0.3932000    


%chk=000159529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159529

0 1
O 1.796379 0.417192 -1.290097
O -3.980748 -1.277357 0.303191
O -1.745790 -2.467899 -0.896918
O -0.322865 -0.157497 -2.000606
O -5.446882 0.129341 -0.892727
O 6.179441 0.505092 0.117471
C 0.221627 -0.210019 0.465021
C -0.890953 0.834089 0.918815
C -0.181731 -1.696943 0.845689
C -2.249104 0.302452 0.589852
C -1.636332 -2.159485 0.518193
C -2.663683 -1.088852 0.962826
C 1.593418 0.148318 1.113568
C -0.718933 2.268002 0.324541
C 0.469006 -0.026275 -1.058178
C -3.232447 0.937552 -0.101141
C 2.457338 0.812205 -0.001187
C -2.046705 3.075016 0.310076
C -3.140649 2.372631 -0.541669
C 0.791484 -2.749009 0.259636
C -4.358751 -0.004050 -0.313639
C 3.899288 0.408301 -0.033054
C 4.438671 -0.917877 -0.290237
C 4.984382 1.235460 0.202459
C 5.812362 -0.819138 -0.194502
H -0.799882 0.888726 2.026734
H -0.109053 -1.731740 1.956252
H -1.821220 -3.085527 1.108624
H -2.823395 -1.183197 2.056243
H 2.103115 -0.755226 1.483940
H 1.477872 0.835106 1.969394
H -0.361829 2.197391 -0.719991
H 0.049161 2.823385 0.895765
H 2.380308 1.914540 0.054459
H -1.849352 4.086654 -0.090063
H -2.420761 3.200618 1.345741
H -2.885249 2.425220 -1.618461
H -4.118656 2.875725 -0.426940
H 0.531464 -3.754705 0.636004
H 0.703024 -2.775966 -0.838626
H 1.841352 -2.553127 0.537934
H -2.703738 -2.419979 -1.153765
H 3.873128 -1.808735 -0.555846
H 5.092886 2.292514 0.428934
H 6.635903 -1.516325 -0.315714


