%chk=000011824.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011824

0 1
 O    2.208100      0.4187000       1.017900    
 O    1.753000      -2.201600      -1.400200    
 O    3.950100      -1.938700      0.1775000    
 O    3.673700       2.782900      0.6639000    
 N   3.0900000E-02 -6.2500000E-02  0.2065000    
 N   -1.174500      -2.138100      0.4434000    
 N   -3.586500      -1.868400      0.2499000    
 N   -4.622200      0.2422000     -0.1343000    
 N   -2.943200       3.568300     -0.5283000    
 C    1.389900     -0.5739000      0.3696000    
 C    2.087700     -0.9083000     -0.9400000    
 C    3.545900     -0.7768000     -0.5468000    
 C    3.519400      0.4131000      0.4074000    
 C    3.725400       1.745400     -0.2996000    
 C   -1.119700     -0.8093000      0.2465000    
 C  -0.2937000       1.254600     -1.2500000E-02
 C   -2.197200      4.5600001E-02  4.9100000E-02
 C   -1.665400       1.350400     -0.1136000    
 C   -3.464700     -0.5347000      5.6299999E-02
 C   -2.449400      -2.577600      0.4288000    
 C   -2.367400       2.568800     -0.3415000    
 H    1.328000      -1.439500       1.040500    
 H    1.836900     -0.1820000      -1.721800    
 H    4.218200     -0.6644000      -1.402100    
 H    4.243800      0.3088000       1.223200    
 H    2.946500       1.942600      -1.042900    
 H    4.700600       1.782300     -0.7937000    
 H   0.4730000       2.015000     -8.4799998E-02
 H    2.026900      -2.842400     -0.7220000    
 H    4.872300      -1.801700      0.4538000    
 H    2.804500       2.737100       1.097800    
 H   -2.581300      -3.643400      0.5811000    
 H   -4.569100       1.239400     -0.2808000    
 H   -5.522900     -0.2175000     -0.1215000    


%chk=000011824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000011824

0 1
O 2.093210 0.401961 0.931373
O 1.876204 -1.847652 -1.998196
O 3.867199 -2.050252 -0.267566
O 3.762738 2.597829 1.423093
N -0.017605 -0.049605 -0.079277
N -1.196538 -1.972832 0.907429
N -3.636567 -1.731816 0.933591
N -4.763761 0.150245 0.101307
N -3.277829 3.278848 -1.425571
C 1.330464 -0.555574 0.094533
C 2.172123 -0.678052 -1.211893
C 3.621967 -0.650831 -0.655391
C 3.544960 0.299730 0.560677
C 4.026559 1.730889 0.279148
C -1.173011 -0.744034 0.322972
C -0.395143 1.174845 -0.628006
C -2.300180 0.063289 0.005494
C -1.793669 1.285794 -0.596145
C -3.576502 -0.492193 0.340225
C -2.465856 -2.391950 1.182270
C -2.571503 2.384002 -1.055429
H 1.239779 -1.536841 0.596923
H 1.988185 0.192867 -1.864036
H 4.357840 -0.318640 -1.412861
H 4.079400 -0.116272 1.435453
H 3.538425 2.120980 -0.642003
H 5.121378 1.751913 0.137772
H 0.338529 1.897134 -0.976278
H 2.348326 -2.612052 -1.567451
H 4.814233 -2.192896 -0.027505
H 2.812802 2.469194 1.683091
H -2.562182 -3.372501 1.656924
H -4.802288 1.070817 -0.332304
H -5.624087 -0.321944 0.374437


