%chk=000074421.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074421

0 1
 O    5.691600      7.8100003E-02  1.7100001E-02
 O    2.405700      -1.485200     -0.1365000    
 O    2.302300       1.332300     -0.2750000    
 O   -3.653800      -1.528800       1.466600    
 O   -4.459800       2.191600     -0.4217000    
 O    2.464700      -3.651100     -0.9136000    
 O    1.693000       1.919100      -2.415900    
 O   -2.024100     -0.3744000       2.642900    
 O   -3.897300       1.537800      -2.573000    
 O   -4.706800      -2.922500     -5.6499999E-02
 O   -4.311700       2.839300       1.798700    
 O    5.801200       1.549600       1.794600    
 C    4.270900      4.8000002E-03  0.1570000    
 C    3.826600      -1.384800     -0.2806000    
 C    3.637600       1.090100     -0.7061000    
 C   0.3896000      -2.651400     -0.2974000    
 C   8.0100000E-02   1.961700     -0.6605000    
 C   -1.536700      -1.863000      0.8413000    
 C   -2.283000       1.982900     -0.8715000    
 C   -2.339600      -2.626000      3.3300001E-02
 C   -2.407000       2.372700      0.4372000    
 C  -0.1625000      -1.849800      0.7053000    
 C   -1.051200       1.766800      -1.457300    
 C    1.831500      -2.676400     -0.4873000    
 C    1.431200       1.743400      -1.236200    
 C  -0.4350000      -3.434900      -1.127100    
 C  -4.7200002E-02   2.362000      0.6833000    
 C   -1.822900      -3.427500     -0.9655000    
 C   -1.307500       2.573000       1.248600    
 C   -2.376300      -1.146700       1.775200    
 C   -3.606800       1.862000      -1.439900    
 C   -3.714900      -2.418500      0.4284000    
 C   -3.813400       2.511700      0.7415000    
 C    6.328300      0.8922000      0.9075000    
 C    7.803400      0.8698000      0.6431000    
 H    3.961600      0.1371000       1.202700    
 H    4.314600      -2.144000      0.3428000    
 H    4.111200      -1.573000      -1.323200    
 H    3.694300      0.8066000      -1.764600    
 H    4.191100       2.030300     -0.5993000    
 H   0.4464000      -1.242400       1.366300    
 H  -0.9722000       1.454700      -2.493100    
 H  -1.7000000E-03  -4.054900      -1.908600    
 H   0.8284000       2.526400       1.306600    
 H   -2.460200      -4.028900      -1.603500    
 H   -1.408500       2.882700       2.282400    
 H    8.187000     -0.1459000      0.7680000    
 H    8.310100       1.524000       1.358400    
 H    8.004400       1.236500     -0.3667000    


%chk=000074421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074421

0 1
O 5.587937 0.066216 -0.425662
O 2.075696 -0.995393 -0.951811
O 2.355555 1.829446 0.345569
O -4.143816 -2.262458 0.408718
O -4.550599 3.021770 -0.729290
O 2.937548 -3.032952 -0.199540
O 1.904168 2.249159 -1.909898
O -3.347575 -0.206652 -0.410029
O -3.614926 3.007894 -2.890385
O -4.209660 -4.480537 1.209147
O -4.772454 2.909066 1.612640
O 6.027796 0.107861 1.867215
C 4.127058 0.143090 -0.129879
C 3.452948 -0.561346 -1.322026
C 3.794811 1.639879 0.031047
C 0.536209 -2.617714 -0.089988
C 0.096563 2.332809 -0.276784
C -1.815437 -2.108468 0.032799
C -2.210693 2.711151 -0.863342
C -2.072708 -3.403105 0.538747
C -2.564450 2.674342 0.502706
C -0.518627 -1.689043 -0.295196
C -0.884676 2.550436 -1.281904
C 1.960887 -2.273182 -0.398399
C 1.510073 2.143533 -0.724389
C 0.276480 -3.919484 0.424734
C -0.260785 2.294349 1.101227
C -1.037418 -4.331127 0.743226
C -1.603619 2.472000 1.506669
C -3.103269 -1.363376 -0.051197
C -3.445411 2.917159 -1.672107
C -3.537073 -3.539784 0.783000
C -4.039502 2.863758 0.620854
C 6.450385 0.022495 0.696042
C 7.879492 -0.158465 0.247526
H 3.926810 -0.397085 0.813830
H 4.050862 -1.445154 -1.600100
H 3.306611 0.113766 -2.177290
H 4.049930 2.193222 -0.889451
H 4.326654 2.049114 0.903244
H -0.317897 -0.692959 -0.695711
H -0.596321 2.581093 -2.336993
H 1.127610 -4.593290 0.565875
H 0.526319 2.127338 1.841086
H -1.245027 -5.330653 1.135559
H -1.890351 2.447447 2.562002
H 8.045690 -1.214755 -0.032065
H 8.562509 0.100779 1.069306
H 8.092388 0.456912 -0.641130


