%chk=000022049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022049

0 1
 O    3.272600      -2.045900       2.139000    
 O    1.134500      -2.381500      0.2081000    
 O    3.013600       1.703100       1.772200    
 O   -1.335700      -2.366800     -0.4046000    
 O   -1.810100       2.801100      0.8704000    
 O   -3.806200      -2.523600      -1.056200    
 O   -6.415100       1.408300     -0.6445000    
 C    3.391100      -1.032300       1.130500    
 C    3.913200      -1.695100     -0.1617000    
 C    4.052900     -0.7575000      -1.365700    
 C    2.066200     -0.3529000      0.9848000    
 C    5.075800      0.3597000      -1.150200    
 C  -0.2774000     -0.4227000      0.3840000    
 C   0.9599000      -1.063600      0.5185000    
 C  -0.4021000      0.9277000      0.7168000    
 C    1.941800      0.9947000       1.317000    
 C    5.242600       1.207500      -2.412000    
 C   0.7106000       1.637200       1.184400    
 C   -1.443200      -1.183400     -0.1103000    
 C   -2.743000     -0.4950000     -0.2469000    
 C   -2.867600      0.8555000      8.5699998E-02
 C   -1.701700       1.616300      0.5794000    
 C   -3.856000      -1.204800     -0.7134000    
 C    6.287700       2.294800      -2.218200    
 C   -4.105200       1.496300     -4.8300002E-02
 C   -5.211700      0.7853000     -0.5135000    
 C   -5.087300     -0.5623000     -0.8455000    
 H    4.163800     -0.3484000       1.495100    
 H    4.900400      -2.123100      6.4499997E-02
 H    3.326000      -2.568400     -0.4591000    
 H    3.080000     -0.3291000      -1.632000    
 H    4.367800      -1.361200      -2.226500    
 H    4.764200       1.007100     -0.3243000    
 H    6.042100     -7.8100003E-02 -0.8719000    
 H   0.6248000       2.689100       1.446100    
 H    4.285100       1.670100      -2.678200    
 H    5.540900      0.5709000      -3.253000    
 H    2.832300      -1.652500       2.911900    
 H    6.005400       2.969000      -1.403300    
 H    6.389800       2.889400      -3.131400    
 H    7.265300       1.862000      -1.983400    
 H   -4.214900       2.547400      0.2074000    
 H    1.708400      -2.786400      0.8806000    
 H   -5.952700      -1.112100      -1.207900    
 H    2.739200       2.619500       1.947200    
 H   -2.914300      -2.879400     -0.9284000    
 H   -6.321400       2.337100     -0.3714000    


%chk=000022049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022049

0 1
O 3.217516 -2.269910 1.678899
O 0.865110 -2.541469 0.595058
O 2.965183 1.778995 0.989542
O -1.767557 -2.642281 0.078576
O -1.949011 2.875831 0.302217
O -4.241736 -2.754011 -0.282405
O -6.803942 1.276453 -0.469333
C 3.299224 -1.029335 0.826336
C 3.824301 -1.520521 -0.542206
C 4.223349 -0.382571 -1.512569
C 1.926809 -0.370234 0.750534
C 5.483815 0.403951 -1.083781
C -0.537830 -0.562061 0.379576
C 0.748326 -1.170416 0.575020
C -0.610490 0.869156 0.420583
C 1.790522 1.034039 0.792662
C 5.908619 1.467245 -2.122659
C 0.534821 1.655956 0.638230
C -1.770476 -1.344848 0.150653
C -3.048521 -0.631371 -0.003909
C -3.138193 0.791243 0.043857
C -1.909431 1.603244 0.255222
C -4.260024 -1.386888 -0.219170
C 7.167245 2.253509 -1.697045
C -4.371256 1.450922 -0.108516
C -5.547830 0.682937 -0.313075
C -5.500348 -0.721610 -0.369562
H 4.022283 -0.333443 1.283824
H 4.706470 -2.157897 -0.338973
H 3.055460 -2.163221 -1.011332
H 3.375052 0.318383 -1.645400
H 4.407617 -0.835102 -2.507442
H 5.302612 0.906903 -0.113332
H 6.322373 -0.306669 -0.926054
H 0.410063 2.744990 0.668768
H 5.067418 2.171588 -2.286998
H 6.092804 0.972120 -3.098045
H 3.126721 -2.013342 2.631659
H 7.000864 2.779736 -0.737918
H 7.448366 3.009147 -2.453388
H 8.030599 1.575252 -1.560264
H -4.386453 2.546335 -0.065340
H 1.777232 -2.779065 0.987435
H -6.410796 -1.303020 -0.529565
H 2.768722 2.748386 1.004199
H -3.241234 -3.036845 -0.156140
H -6.741971 2.262808 -0.416628


