%chk=000100716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100716

0 1
 O  -0.3170000       1.587900     -0.5267000    
 O   -2.364300     -0.7389000      -2.092600    
 O    4.707300      0.7818000       1.586300    
 O   -3.808300      7.0799999E-02  0.1708000    
 O   -2.344400       2.036600      -1.494100    
 O   -4.477600     -0.7817000       2.211000    
 C    1.906900      0.6559000     -0.5519000    
 C   0.4393000      0.4098000     -0.1610000    
 C  -0.2576000     -0.7221000     -0.9121000    
 C    2.800400     -0.5880000     -0.7494000    
 C   -1.713700     -0.2495000     -0.9367000    
 C  -5.6100000E-02  -2.098700     -0.2691000    
 C    4.233500     -2.5500000E-02 -0.6390000    
 C    2.712700       1.503900      0.4205000    
 C    4.175000       1.157700      0.3259000    
 C    2.447200      -1.784500      0.1201000    
 C    1.350800      -2.670300     -0.4319000    
 C   -1.534500       1.243300      -1.040800    
 C   -2.551900     -0.5699000      0.2987000    
 C    2.234500       2.418200       1.276700    
 C    3.070400      -2.134600       1.256400    
 C   -4.686800     -0.1174000       1.204900    
 C   -5.965800      0.6154000      0.9340000    
 H    1.915400       1.213400      -1.501800    
 H   0.3396000      0.2832000      0.9247000    
 H   0.1058000     -0.7624000      -1.949600    
 H    2.693900     -0.9292000      -1.789600    
 H  -0.7598000      -2.809800     -0.7202000    
 H  -0.2968000      -2.058000      0.8008000    
 H    4.970700     -0.7843000     -0.3565000    
 H    4.526500      0.3507000      -1.629000    
 H    4.756700       2.001300     -6.1400000E-02
 H    1.546700      -2.872400      -1.492800    
 H    1.375200      -3.654100      5.5300001E-02
 H   -2.060700     -0.2191000       1.214000    
 H   -2.724500      -1.650300      0.3675000    
 H    2.902000       2.963200       1.936400    
 H    1.179400       2.654300       1.341700    
 H   -3.280000     -0.4113000      -2.084200    
 H    3.883900      -1.561200       1.678000    
 H    2.774900      -3.022800       1.806300    
 H    5.638800      0.5380000       1.450300    
 H   -6.426300      0.2304000      2.0700000E-02
 H   -5.766500       1.686000      0.8432000    
 H   -6.657500      0.4585000       1.766600    


%chk=000100716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100716

0 1
O -0.488462 1.468253 -0.257018
O -2.396926 -0.862546 -2.140967
O 4.617080 0.827811 1.695284
O -3.986166 -0.546861 0.205943
O -2.634367 1.889193 -1.042983
O -3.666314 0.713779 2.148974
C 1.809424 0.656026 -0.512022
C 0.397197 0.249547 -0.070512
C -0.293336 -0.876197 -0.890378
C 2.770334 -0.549571 -0.849787
C -1.788508 -0.466351 -0.876622
C 0.003221 -2.300030 -0.373918
C 4.180240 0.093945 -0.708133
C 2.582401 1.487413 0.515664
C 4.077645 1.214827 0.367029
C 2.506776 -1.800158 -0.000559
C 1.473347 -2.762233 -0.581523
C -1.736864 1.081012 -0.750863
C -2.596844 -1.057767 0.303456
C 2.058995 2.323157 1.442414
C 3.111104 -2.040818 1.193465
C -4.380245 0.413288 1.171113
C -5.725816 0.987388 0.810306
H 1.687608 1.252162 -1.442673
H 0.381916 0.018325 1.010859
H 0.020143 -0.794859 -1.950835
H 2.609265 -0.840022 -1.906437
H -0.665205 -3.010313 -0.898833
H -0.231163 -2.359507 0.707309
H 4.950570 -0.652797 -0.448603
H 4.464177 0.549589 -1.676141
H 4.616007 2.126977 0.032138
H 1.652991 -2.890800 -1.668787
H 1.585649 -3.758418 -0.114310
H -2.176633 -0.793244 1.290334
H -2.675395 -2.149668 0.185139
H 2.710922 2.842406 2.153167
H 0.981229 2.499793 1.522041
H -3.332786 -0.527194 -2.141583
H 3.814888 -1.329350 1.640799
H 2.887961 -2.952680 1.762259
H 5.607553 0.839757 1.643777
H -6.382677 0.217252 0.376150
H -5.571882 1.773794 0.048485
H -6.191651 1.439990 1.697783


