%chk=000131021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131021

0 1
 O    3.016800       1.649300      0.9583000    
 O   -1.187200       1.632200     -0.1245000    
 O    4.317400     -0.8969000      0.9028000    
 O   -2.208100     -0.9174000      8.2000000E-03
 O  -0.3067000      -2.350800      -1.010100    
 O    3.275800       3.699700     -5.6100000E-02
 O   -2.375200       2.490100       1.650600    
 O   -2.614500      -3.159600     -0.3715000    
 C    1.107300      0.8381000     -0.1711000    
 C    2.335500      0.4040000      0.6321000    
 C  -0.1201000       1.170900      0.7095000    
 C    3.360500     -0.4996000     -8.8200003E-02
 C    2.817700      -1.752900     -0.8203000    
 C  -0.6528000      3.4600001E-02   1.613500    
 C   -1.190500      -1.252800      0.9496000    
 C    2.279700      -2.896000      7.3200002E-02
 C    1.654300       2.076200     -0.8093000    
 C    1.059900      -2.602800      0.9462000    
 C  -0.1424000      -2.069000      0.1798000    
 C    2.739100       2.611000      3.2499999E-02
 C    3.927900      -2.344500      -1.713200    
 C   -1.832800      -2.163800       2.002800    
 C    1.317000       2.632600      -1.974800    
 C   -2.320200       2.016200      0.5246000    
 C   -2.840900      -1.975300     -0.5791000    
 C   -3.502500       1.770600     -0.3474000    
 C   -3.878300      -1.474700      -1.537900    
 C   -3.370300       1.840500      -1.838000    
 C   -4.665900       1.490000      0.2579000    
 H   0.8068000      0.1285000     -0.9425000    
 H    2.084100     -2.7600000E-02   1.599800    
 H   0.1571000       2.004200       1.372200    
 H    3.912900      0.1185000     -0.8079000    
 H    2.033200      -1.442800      -1.516100    
 H   0.1263000     -0.2277000       2.336600    
 H   -1.462200      0.4216000       2.242600    
 H    3.084800      -3.261000      0.7238000    
 H    2.020200      -3.742100     -0.5784000    
 H    1.334400      -1.931700       1.757200    
 H   0.7392000      -3.537000       1.423300    
 H    4.339900      -1.581700      -2.382300    
 H    4.749000      -2.761400      -1.121300    
 H    3.528900      -3.148800      -2.341300    
 H   -1.270800      -2.111000       2.943900    
 H   -2.864700      -1.866900       2.223300    
 H   -1.830800      -3.227300       1.744300    
 H    5.084100      -1.276600      0.4423000    
 H   0.5321000       2.200600      -2.586700    
 H    1.809200       3.524500      -2.346900    
 H   -3.409700     -0.8894000      -2.328700    
 H   -4.653500     -0.9219000      -1.010300    
 H   -4.357000      -2.337800      -2.012300    
 H   -3.129900       2.865600      -2.139700    
 H   -2.570500       1.189300      -2.201600    
 H   -4.295800       1.553800      -2.348100    
 H   -5.567400       1.308400     -0.3185000    
 H   -4.756100       1.432900       1.337700    


%chk=000131021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131021

0 1
O 2.978180 1.476555 1.176898
O -1.301214 1.314644 -0.239519
O 4.370344 -0.968651 0.732081
O -2.391156 -1.326248 0.388742
O -0.243184 -2.153526 -1.091685
O 3.233410 3.684623 0.461657
O -2.583260 2.257040 1.465528
O -2.679847 -3.593952 -0.137364
C 1.032589 0.809057 -0.122563
C 2.258172 0.252927 0.652161
C -0.247964 0.962465 0.754448
C 3.308707 -0.520926 -0.182225
C 2.837550 -1.748139 -1.000421
C -0.688360 -0.201718 1.677024
C -1.121930 -1.596607 1.131507
C 2.383547 -2.983701 -0.175464
C 1.529906 2.182094 -0.556488
C 1.177337 -2.817127 0.779152
C -0.070617 -2.200686 0.152143
C 2.648575 2.594337 0.354715
C 3.986190 -2.174388 -1.950026
C -1.411239 -2.516138 2.345180
C 1.085110 2.977599 -1.558997
C -2.446827 1.952413 0.254176
C -3.041558 -2.401826 -0.241912
C -3.436053 2.204093 -0.845157
C -4.214893 -1.897882 -1.049945
C -3.084356 1.787406 -2.257901
C -4.610950 2.799009 -0.497793
H 0.776597 0.176523 -0.986258
H 2.008171 -0.317092 1.556311
H -0.129783 1.833833 1.430952
H 3.727383 0.213363 -0.909945
H 1.986086 -1.426456 -1.629528
H 0.120095 -0.364538 2.413786
H -1.550484 0.176949 2.255496
H 3.242266 -3.343431 0.421279
H 2.136205 -3.776565 -0.906004
H 1.457139 -2.266509 1.696719
H 0.872339 -3.823176 1.140254
H 4.282403 -1.344809 -2.618649
H 4.874381 -2.478458 -1.369211
H 3.672585 -3.022967 -2.584541
H -0.524762 -2.602307 2.996998
H -2.228016 -2.072225 2.941125
H -1.716802 -3.520194 2.016593
H 4.722936 -0.168168 1.201210
H 0.268960 2.667160 -2.218332
H 1.543899 3.959899 -1.722248
H -3.874142 -1.700695 -2.083266
H -4.616222 -0.960713 -0.634415
H -4.996471 -2.671974 -1.090961
H -2.210196 2.352681 -2.630812
H -2.806443 0.719834 -2.297529
H -3.930590 1.967587 -2.942157
H -5.384437 3.013500 -1.243064
H -4.805008 3.081303 0.542743


