%chk=000072172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072172

0 1
 O  -0.9001000       1.702100       2.079000    
 O    1.723200       1.316200       1.912600    
 O    2.914300       1.822200      -1.350400    
 O    4.924600      0.8446000      -1.011400    
 N    1.556700     -4.6999999E-03  1.1100000E-02
 N  -0.2189000       2.897600     -0.4599000    
 C    3.228100      -1.671300     -0.7224000    
 C    2.543600      -2.875500     -3.6699999E-02
 C    2.962900     -0.2740000     -0.1422000    
 C  -0.9145000       1.607800     -0.3505000    
 C  -0.4702000      0.9337000      0.9650000    
 C   -2.444800       1.813000     -0.4216000    
 C    1.046800      0.7779000       1.038600    
 C    2.980600      -2.935500       1.431900    
 C    1.018700      -2.843800     -0.1115000    
 C   -3.228200      0.5221000     -0.3708000    
 C    3.705100      0.8265000     -0.8840000    
 C   -3.533400     -0.1327000      -1.552900    
 C   -3.625700      1.7899999E-02  0.8568000    
 C   -4.256300      -1.324700      -1.506100    
 C   -4.348700      -1.174100      0.9034000    
 C   -4.663900      -1.845300     -0.2781000    
 H    4.312500      -1.846700     -0.7333000    
 H    2.925700      -1.669800      -1.779000    
 H    2.892600      -3.783800     -0.5438000    
 H    3.392800     -0.2394000      0.8676000    
 H  -0.6146000      0.9953000      -1.208700    
 H  -0.8973000     -7.0699997E-02   1.053200    
 H   -2.784800       2.476000      0.3858000    
 H   -2.700500       2.343600      -1.349500    
 H   0.9351000     -0.3202000     -0.7259000    
 H    4.072500      -2.935700       1.516000    
 H    2.590600      -2.096300       2.016500    
 H    2.613500      -3.856800       1.897700    
 H   0.5619000      -2.183100      0.6292000    
 H   0.6717000      -2.568100      -1.112300    
 H   0.6250000      -3.845600      9.8999999E-02
 H   0.7832000       2.745100     -0.5648000    
 H  -0.5205000       3.374900      -1.308600    
 H  -0.7083000       1.186700       2.881300    
 H   -3.217800      0.2636000      -2.513700    
 H   -3.396900      0.5351000       1.783400    
 H   -4.501300      -1.847800      -2.425900    
 H   -4.668100      -1.578500       1.859400    
 H    3.433000       2.523300      -1.799400    
 H   -5.227100      -2.773300     -0.2416000    


%chk=000072172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072172

0 1
O -1.096464 1.068357 2.173623
O 1.555641 0.787650 1.916989
O 2.651373 1.749296 -1.525128
O 4.701278 0.676179 -1.630541
N 1.444269 -0.228072 -0.173278
N -0.200706 2.774245 -0.223378
C 3.337400 -1.790762 -0.785040
C 3.133017 -2.956691 0.225508
C 2.893246 -0.380253 -0.307869
C -1.035302 1.571639 -0.282257
C -0.653206 0.586417 0.880358
C -2.534314 1.969933 -0.174980
C 0.872413 0.380489 0.924257
C 3.772682 -2.657892 1.603186
C 1.658696 -3.404393 0.383366
C -3.490153 0.799186 -0.343888
C 3.525194 0.693159 -1.212084
C -3.956201 0.419902 -1.629878
C -3.921843 0.049398 0.782688
C -4.830065 -0.679745 -1.790893
C -4.796477 -1.049441 0.625126
C -5.253320 -1.419097 -0.661832
H 4.414040 -1.712388 -1.025434
H 2.818545 -2.032080 -1.736379
H 3.684375 -3.813648 -0.217441
H 3.310736 -0.184998 0.700732
H -0.910727 0.997298 -1.238688
H -1.163695 -0.379540 0.699025
H -2.668319 2.445195 0.812638
H -2.732356 2.731734 -0.955953
H 0.847631 -0.511884 -0.952914
H 4.821954 -2.322157 1.500059
H 3.212946 -1.877288 2.152005
H 3.770522 -3.564859 2.235083
H 1.053504 -2.638379 0.898576
H 1.191330 -3.612018 -0.598310
H 1.602887 -4.331923 0.982912
H 0.773266 2.651239 -0.516066
H -0.637299 3.632439 -0.563244
H -0.299881 1.485418 2.606614
H -3.641624 0.998269 -2.508469
H -3.558552 0.332724 1.777776
H -5.186032 -0.954486 -2.790685
H -5.123195 -1.614628 1.505618
H 3.150520 2.413028 -2.076187
H -5.934932 -2.268773 -0.782818


