%chk=000168959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168959

0 1
 O  -0.9494000     -0.1937000      -2.196300    
 O   -1.537200       1.140500      -1.881600    
 C  -0.5261000     -0.9057000     -0.9908000    
 C   -1.429400       1.441000     -0.4699000    
 C   0.5739000     -1.6200000E-02 -0.3756000    
 C   4.7699999E-02   1.287300     -0.1152000    
 C   -1.735600     -0.9341000     -5.3199999E-02
 C   -2.226800      0.3569000      0.2346000    
 C    1.933700     -0.3088000     -5.1100001E-02
 C  -0.1687000      -2.293600      -1.520100    
 C   -1.997600       2.852000     -0.2976000    
 C   0.8413000       2.286500      0.4316000    
 C   -2.336400      -2.051800      0.5223000    
 C   -3.314100      0.5236000       1.088600    
 C    2.720000      0.7432000      0.5036000    
 C    2.168300       2.011400      0.7306000    
 C    2.596300      -1.551700     -0.2161000    
 C   -3.428600      -1.880300       1.374700    
 C   -3.914500     -0.6008000       1.655900    
 C    4.067800      0.5362000      0.8426000    
 C    3.939100      -1.743500      0.1277000    
 C    4.676500     -0.6985000      0.6554000    
 H   0.6382000      -2.240900      -2.260100    
 H   0.1088000      -2.991100     -0.7243000    
 H   -1.020100      -2.737200      -2.053200    
 H   -3.035000       2.904900     -0.6502000    
 H   -1.439400       3.578100     -0.9012000    
 H   -1.975200       3.183800      0.7462000    
 H   0.4531000       3.278600      0.6359000    
 H   -1.976100      -3.056400      0.3276000    
 H   -3.704400       1.507600       1.326200    
 H    2.774000       2.809600       1.157400    
 H    2.095000      -2.422000     -0.6140000    
 H   -3.902600      -2.747800       1.825700    
 H   -4.763600     -0.4811000       2.323200    
 H    4.663400       1.344700       1.263700    
 H    4.401100      -2.715600     -1.9400001E-02
 H    5.718400     -0.8419000      0.9239000    


%chk=000168959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168959

0 1
O -0.972324 -0.221810 -2.208385
O -1.532405 1.174914 -1.902634
C -0.505357 -0.938245 -0.911136
C -1.425077 1.450638 -0.389279
C 0.572132 -0.017119 -0.307931
C 0.050693 1.272490 -0.051896
C -1.727075 -0.948186 0.006051
C -2.229002 0.350480 0.287453
C 1.962057 -0.296646 -0.027350
C -0.152352 -2.304780 -1.499768
C -1.991958 2.862669 -0.278111
C 0.869894 2.323308 0.444690
C -2.379275 -2.084631 0.520442
C -3.377224 0.514389 1.083571
C 2.784746 0.789207 0.493567
C 2.215011 2.083126 0.712623
C 2.605029 -1.574698 -0.192931
C -3.522920 -1.920480 1.339559
C -4.019775 -0.627770 1.620124
C 4.168317 0.561537 0.797136
C 3.953372 -1.765675 0.115406
C 4.751900 -0.689925 0.611427
H 0.678602 -2.225682 -2.217527
H 0.109829 -3.029576 -0.710813
H -1.033552 -2.690896 -2.039577
H -3.031335 2.881088 -0.645205
H -1.401344 3.565965 -0.887453
H -1.983594 3.207333 0.771060
H 0.443468 3.315448 0.618260
H -2.010094 -3.091423 0.300287
H -3.773640 1.513147 1.293911
H 2.856134 2.882158 1.102847
H 2.038465 -2.428362 -0.559504
H -4.024271 -2.800580 1.757231
H -4.905328 -0.508592 2.254120
H 4.761095 1.399092 1.183905
H 4.404011 -2.754800 -0.022992
H 5.808948 -0.853913 0.846323


