%chk=000098029.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098029

0 1
 O   -1.627700     -0.2518000     -0.2528000    
 O   -4.074000       1.030000     -0.4985000    
 C   0.7898000     -2.5300000E-02 -0.2942000    
 C    2.067700     -0.5493000      0.3944000    
 C   0.7340000       1.511200     -0.4477000    
 C  -0.4358000     -0.5882000      0.4441000    
 C    3.356200     -0.2025000     -0.3587000    
 C    4.616500     -0.7413000      0.3239000    
 C   0.7587000       2.293300      0.8583000    
 C   -2.778700     -0.7681000      0.4020000    
 C    5.897200     -0.4227000     -0.4322000    
 C   -4.016000     -0.3924000     -0.4033000    
 C   -5.287800     -0.8929000      0.2646000    
 H   0.7652000     -0.4323000      -1.315000    
 H    2.127900     -0.1693000       1.421100    
 H    2.005400      -1.642300      0.4760000    
 H    1.562600       1.850500      -1.079200    
 H  -0.1781000       1.783400     -0.9936000    
 H  -0.3590000      -1.681500      0.4952000    
 H  -0.4828000     -0.2071000       1.470600    
 H    3.297600     -0.6020000      -1.378500    
 H    3.457400      0.8848000     -0.4460000    
 H    4.688300     -0.3244000       1.335500    
 H    4.533100      -1.829200      0.4334000    
 H  -9.8300003E-02   2.049400       1.492300    
 H   0.7156000       3.367100      0.6474000    
 H    1.676400       2.105900       1.422700    
 H   -2.700700      -1.857900      0.4893000    
 H   -2.835600     -0.3294000       1.405700    
 H    6.763500     -0.8302000      9.8099999E-02
 H    5.875900     -0.8578000      -1.436300    
 H    6.034100      0.6589000     -0.5292000    
 H   -3.932400     -0.7845000      -1.422800    
 H   -5.410600     -0.4494000       1.258900    
 H   -5.282200      -1.982600      0.3633000    
 H   -6.167300     -0.6014000     -0.3196000    
 H   -4.858300       1.256500      -1.027000    


%chk=000098029-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098029

0 1
O -1.642364 -0.366199 -0.223436
O -4.220033 1.179634 0.067024
C 0.783443 -0.113187 -0.255305
C 2.098518 -0.541824 0.450961
C 0.683123 1.412437 -0.544010
C -0.424697 -0.618041 0.555449
C 3.384972 -0.200651 -0.334266
C 4.663863 -0.744630 0.343097
C 0.831098 2.331878 0.689820
C -2.859494 -0.750111 0.491441
C 5.951435 -0.400790 -0.436706
C -4.062223 -0.243812 -0.305063
C -5.347658 -1.033135 0.008727
H 0.741150 -0.631915 -1.236979
H 2.153722 -0.079647 1.458621
H 2.069854 -1.639835 0.618737
H 1.452365 1.685069 -1.293074
H -0.299916 1.596491 -1.015808
H -0.322312 -1.710171 0.755138
H -0.491432 -0.098379 1.538409
H 3.309899 -0.616036 -1.361379
H 3.478583 0.897936 -0.448877
H 4.732339 -0.335408 1.372069
H 4.578630 -1.845407 0.452467
H 0.051179 2.127574 1.446141
H 0.727419 3.391832 0.393209
H 1.817426 2.217855 1.177343
H -2.905162 -1.857487 0.597240
H -2.883243 -0.294441 1.505300
H 6.851019 -0.798968 0.068023
H 5.920526 -0.825351 -1.458085
H 6.075008 0.694550 -0.533780
H -3.812645 -0.331100 -1.383919
H -5.581130 -0.978245 1.087518
H -5.242704 -2.096790 -0.276134
H -6.209498 -0.618774 -0.546703
H -4.853259 1.610278 -0.561012


