%chk=000027272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027272

0 1
 O    3.199700      0.4410000     -0.5252000    
 O    2.301500      -1.677600     -0.6881000    
 O   -2.580600      0.5897000      -2.093200    
 O   -2.501600      -2.286600     -0.2324000    
 O   -1.089900      5.9900001E-02   2.309900    
 O   -1.655500       2.139600     -0.8469000    
 O   -3.970200     -0.7120000      0.1893000    
 O   -2.471300       1.573900       1.533400    
 N   -1.980400      0.9653000      -1.076200    
 N   -2.812600      -1.107700     -3.5999999E-03
 N   -1.769800      0.5616000       1.402300    
 C   -1.689200     -6.5899998E-02  1.2500000E-02
 C  -0.3191000     -0.7126000     -0.2723000    
 C   0.8743000      0.2556000     -0.2999000    
 C    2.182400     -0.4711000     -0.5251000    
 C    4.466100     -4.8300002E-02 -7.1800001E-02
 C    5.495300       1.068100     -0.1613000    
 C    4.321000     -0.5728000       1.348700    
 H  -0.3510000      -1.227700      -1.243800    
 H  -0.1116000      -1.498100      0.4683000    
 H   0.7593000      0.9760000      -1.116200    
 H   0.9504000      0.7955000      0.6493000    
 H    4.789000     -0.8596000     -0.7363000    
 H    6.484600      0.7263000      0.1574000    
 H    5.567200       1.438400      -1.189600    
 H    5.200800       1.921100      0.4598000    
 H    5.296100     -0.8486000       1.763700    
 H    3.683300      -1.459900       1.404500    
 H    3.869600      0.1839000       2.000300    


%chk=000027272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027272

0 1
O 3.154907 0.462748 0.043626
O 2.210608 -1.665269 -0.172388
O -1.472065 0.964701 -2.201097
O -2.770383 -2.245775 0.065155
O -1.354242 0.799922 2.181139
O -2.406944 2.257408 -0.559090
O -3.738546 -0.750247 -1.372215
O -3.523806 0.402516 1.587525
N -1.910201 1.176461 -1.018755
N -2.874881 -1.109393 -0.510571
N -2.267145 0.423581 1.370070
C -1.787195 -0.051034 -0.052559
C -0.395567 -0.669001 -0.079225
C 0.772960 0.331789 0.053118
C 2.095682 -0.423068 -0.037824
C 4.555916 -0.120516 -0.011216
C 5.439884 1.016739 -0.523282
C 4.929227 -0.630616 1.386655
H -0.295274 -1.214676 -1.034597
H -0.346542 -1.430026 0.718041
H 0.758131 1.090097 -0.750925
H 0.739998 0.873174 1.012795
H 4.519470 -0.962483 -0.727352
H 6.483460 0.665495 -0.614214
H 5.102196 1.365537 -1.513896
H 5.420106 1.872217 0.174266
H 5.956544 -1.038115 1.371772
H 4.248158 -1.435846 1.709147
H 4.893345 0.191079 2.123398


