%chk=000053135.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053135

0 1
 O    5.692900       1.804600      0.5850000    
 O   -5.951800       1.311100      0.9509000    
 C  -8.0499999E-02 -0.7240000     -0.6329000    
 C   0.9330000      -1.127400      0.1771000    
 C   -1.379700      -1.509100     -0.7739000    
 C  -1.3800000E-02  0.5365000      -1.491100    
 C   0.9059000      -2.349200       1.075900    
 C    2.189300     -0.3534000      0.2850000    
 C   -2.605300     -0.7535000     -0.3122000    
 C   0.5582000      0.2765000      -2.878600    
 C    1.421200      -3.598200      0.3722000    
 C    2.288400      0.6382000       1.243200    
 C    3.232100     -0.6413000     -0.5758000    
 C   -3.006300     -0.8578000       1.008900    
 C   -3.300800      2.7700000E-02  -1.219300    
 C    3.472800       1.368000       1.344300    
 C    4.416500      8.8500001E-02 -0.4748000    
 C   -4.136400     -0.1603000       1.435500    
 C   -4.431000      0.7253000     -0.7928000    
 C    4.536800       1.093300      0.4853000    
 C   -4.848800      0.6311000      0.5346000    
 C    6.740600       1.471900     -0.3245000    
 C   -6.633100       2.101500     -2.2100000E-02
 H   -1.503200      -1.778800      -1.832200    
 H   -1.349900      -2.477700     -0.2645000    
 H   0.6105000       1.294800      -1.004300    
 H  -0.9824000       1.028600      -1.583100    
 H  -0.1052000      -2.532800       1.454500    
 H    1.509100      -2.174400       1.976500    
 H  -7.9499997E-02 -0.4124000      -3.442300    
 H   0.6160000       1.213900      -3.441500    
 H    1.563300     -0.1504000      -2.838300    
 H    2.473600      -3.495200      9.0099998E-02
 H    1.339700      -4.463300       1.038400    
 H   0.8442000      -3.815200     -0.5327000    
 H    1.466000      0.8610000       1.917600    
 H    3.151400      -1.422500      -1.326800    
 H   -2.458000      -1.470500       1.718300    
 H   -2.997000      9.5600002E-02  -2.260100    
 H    3.560700       2.149300       2.094300    
 H    5.202900     -0.1771000      -1.172900    
 H   -4.456900     -0.2373000       2.470900    
 H   -4.939500       1.318100      -1.545400    
 H    6.447500       1.661200      -1.362800    
 H    7.093900      0.4462000     -0.1735000    
 H    7.583000       2.135800     -0.1041000    
 H   -7.483700       2.572200      0.4817000    
 H   -7.041600       1.483000     -0.8285000    
 H   -5.998200       2.910000     -0.4001000    


%chk=000053135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053135

0 1
O 6.118677 1.327768 0.984041
O -5.963220 1.600995 0.894957
C 0.009794 -0.614496 -0.748439
C 0.923707 -1.042384 0.187957
C -1.328882 -1.322318 -0.968039
C 0.209702 0.625791 -1.615919
C 0.669285 -2.236034 1.116686
C 2.276819 -0.409650 0.350666
C -2.555907 -0.520786 -0.519451
C 0.389885 0.329393 -3.129523
C 1.234863 -3.561440 0.539127
C 2.708745 0.077308 1.619502
C 3.193858 -0.312289 -0.727188
C -2.564512 0.176737 0.719352
C -3.732614 -0.489574 -1.302888
C 3.978851 0.652514 1.796177
C 4.479213 0.255495 -0.569963
C -3.706476 0.868957 1.160447
C -4.892987 0.200709 -0.878857
C 4.872834 0.743304 0.699522
C -4.878292 0.881168 0.362481
C 7.073378 1.448853 -0.119316
C -7.193308 1.645641 0.103238
H -1.441941 -1.550193 -2.047029
H -1.335129 -2.302992 -0.458205
H 1.075539 1.208008 -1.256687
H -0.682489 1.274773 -1.497940
H -0.407941 -2.356706 1.333245
H 1.160268 -2.045481 2.090064
H -0.493572 -0.180171 -3.555919
H 0.533488 1.270005 -3.692652
H 1.269866 -0.314862 -3.310454
H 2.315239 -3.464624 0.328056
H 1.096526 -4.396986 1.250356
H 0.728231 -3.825212 -0.407440
H 2.027394 0.027589 2.477014
H 2.903042 -0.704353 -1.707925
H -1.656905 0.183910 1.334602
H -3.750490 -1.014678 -2.266510
H 4.300304 1.038977 2.768297
H 5.154091 0.302479 -1.430102
H -3.716667 1.407892 2.113124
H -5.783137 0.201701 -1.515316
H 6.668694 2.078580 -0.935850
H 7.352763 0.455563 -0.522256
H 7.958775 1.933352 0.318034
H -7.896075 2.248760 0.696966
H -7.611637 0.631556 -0.051901
H -7.024752 2.129548 -0.879040


