%chk=000152517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152517

0 1
 O   0.5189000       3.884900       1.384700    
 O  -0.5211000       3.883000      -1.388000    
 O   0.9438000       2.093000       2.728100    
 O  -0.9447000       2.089800      -2.730000    
 C  -0.3480000       1.809500      0.7038000    
 C   0.3475000       1.808900     -0.7055000    
 C  -0.5009000      0.2452000       1.143600    
 C   0.5011000      0.2443000      -1.143700    
 C   -1.373500     -0.3175000      0.1722000    
 C    1.373900     -0.3170000     -0.1718000    
 C   0.8005000     -0.3146000       1.104400    
 C  -0.8000000     -0.3162000      -1.103900    
 C   -2.696900     -0.8099000      0.3680000    
 C    2.697300     -0.8094000     -0.3673000    
 C   0.4402000       2.574900       1.724400    
 C  -0.4415000       2.573000      -1.726600    
 C    1.514200     -0.8031000       2.206200    
 C   -1.513300     -0.8061000      -2.205300    
 C   -3.407900      -1.307700     -0.7528000    
 C    3.408500      -1.306100      0.7540000    
 C    2.805300      -1.297200       2.024500    
 C   -2.804400      -1.300200      -2.023300    
 C   -3.329600     -0.8250000       1.628000    
 C    3.329900     -0.8260000      -1.627300    
 C   -4.711700      -1.800800     -0.5820000    
 C    4.712200      -1.799600      0.5834000    
 C   -4.626200      -1.318200       1.778100    
 C    4.626200      -1.319700      -1.777100    
 C   -5.316000      -1.805700      0.6744000    
 C    5.316200      -1.806200     -0.6732000    
 H   -1.361000       2.235700      0.6847000    
 H    1.360200       2.235800     -0.6869000    
 H    1.072400     -0.8004000       3.198800    
 H   -1.071300     -0.8044000      -3.197800    
 H    3.344000      -1.674200       2.891900    
 H   -3.343000      -1.678300      -2.890400    
 H   -2.816400     -0.4515000       2.511700    
 H    2.816500     -0.4534000      -2.511300    
 H   -5.272100      -2.186600      -1.431400    
 H    5.272600      -2.184500       1.433100    
 H   -5.095400      -1.321200       2.757600    
 H    5.095000      -1.323800      -2.756800    
 H    1.031400       4.403300       2.041100    
 H   -1.034100       4.400600      -2.044700    
 H   -6.325200      -2.189900      0.7898000    
 H    6.325200      -2.191000     -0.7884000    


%chk=000152517-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152517

0 1
O -1.201557 2.836178 3.989761
O 1.201000 2.831892 -3.993271
O 0.938082 2.009768 3.626452
O -0.938426 2.005416 -3.628880
C -1.001708 1.248988 2.273685
C 1.001588 1.246736 -2.275225
C -0.500015 0.415742 1.292593
C 0.499885 0.414364 -1.292963
C -1.414185 -0.077783 0.219768
C 1.414093 -0.077850 -0.219567
C 0.916596 -0.000859 1.106092
C -0.916702 -0.002132 -1.105968
C -2.745742 -0.589372 0.470067
C 2.745759 -0.589348 -0.469322
C -0.279393 2.002591 3.311026
C 0.279042 1.998977 -3.313429
C 1.748219 -0.375795 2.209214
C -1.748323 -0.378187 -2.208700
C -3.575091 -0.948821 -0.666207
C 3.575119 -0.947632 0.667306
C 3.046673 -0.822854 1.993082
C -3.046725 -0.825158 -1.992118
C -3.273913 -0.828571 1.785749
C 3.274050 -0.829452 -1.784785
C -4.898345 -1.453947 -0.448210
C 4.898461 -1.452738 0.449788
C -4.563025 -1.334977 1.967618
C 4.563253 -1.335800 -1.966169
C -5.394178 -1.633458 0.843649
C 5.394380 -1.633253 -0.841902
H -2.066174 1.497323 2.237743
H 2.066064 1.495138 -2.239761
H 1.356196 -0.297886 3.223729
H -1.356317 -0.301197 -3.223299
H 3.680023 -1.100559 2.843109
H -3.680061 -1.103751 -2.841865
H -2.648042 -0.639492 2.661564
H 2.648210 -0.641068 -2.660780
H -5.512476 -1.708323 -1.320070
H 5.512603 -1.706261 1.321888
H -4.937913 -1.514295 2.981096
H 4.938239 -1.515856 -2.979480
H -0.703986 3.362675 4.672245
H 0.703278 3.357449 -4.676368
H -6.406702 -2.020161 1.001267
H 6.406984 -2.019899 -0.999150


