%chk=000121527.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121527

0 1
 O   -6.197000     -0.8872000      -1.032800    
 O   -2.902900       1.905600       1.327200    
 O    3.995300       1.900900      -1.242700    
 O    2.991400      -2.330300      0.7639000    
 O    4.806100     -0.6259000     -0.4494000    
 N   -3.949000      5.6000002E-02  0.3881000    
 C   -3.937800      -1.271900     -0.2402000    
 C   -5.293800      0.5404000      0.7053000    
 C   -4.885200      -1.293500      -1.433200    
 C   -6.189700      0.4487000     -0.5225000    
 C   -2.843800      0.7916000      0.8030000    
 C   -1.505300      0.2012000      0.6069000    
 C   0.9064000      0.5956000      0.1750000    
 C  -0.4838000       1.031000      0.3974000    
 C    1.292900     -0.6721000      0.5786000    
 C    1.799400       1.462400     -0.4336000    
 C    3.115100       1.050200     -0.6445000    
 C    2.608700      -1.084100      0.3679000    
 C    3.519900     -0.2230000     -0.2437000    
 C    4.740700       2.767400     -0.3896000    
 C    2.846300      -3.384900     -0.1853000    
 C    5.566200     -0.9779000      0.7043000    
 H   -4.266900      -1.984400      0.5250000    
 H   -2.939600      -1.559500     -0.5733000    
 H   -5.268300       1.567000       1.082600    
 H   -5.677800     -0.1051000       1.504100    
 H   -4.532900     -0.6344000      -2.235700    
 H   -4.956600      -2.307600      -1.838500    
 H   -7.218300      0.7131000     -0.2582000    
 H   -5.858300       1.134300      -1.311500    
 H   -1.405800     -0.8740000      0.6482000    
 H  -0.6419000       2.106100      0.3468000    
 H   0.6206000      -1.362700       1.078700    
 H    1.491800       2.455900     -0.7510000    
 H    5.401400       3.376200      -1.012800    
 H    5.353600       2.189400      0.3089000    
 H    4.068800       3.432700      0.1619000    
 H    3.442300      -3.183000      -1.080900    
 H    1.793500      -3.514500     -0.4557000    
 H    3.206400      -4.310000      0.2730000    
 H    5.545800      -2.061400      0.8506000    
 H    5.214000     -0.4644000       1.605800    
 H    6.603900     -0.6805000      0.5269000    


%chk=000121527-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121527

0 1
O -6.511044 -1.154279 -0.754264
O -3.186483 2.237694 0.371703
O 4.126212 2.352866 0.064690
O 2.876789 -2.437717 0.350926
O 4.943362 -0.427535 0.243173
N -4.180451 0.135556 0.359525
C -4.228406 -1.334461 0.223413
C -5.519878 0.752230 0.496447
C -5.170007 -1.723791 -0.940278
C -6.425702 0.318392 -0.669653
C -3.050685 0.966610 0.338959
C -1.704666 0.328119 0.298617
C 0.812903 0.665410 0.189125
C -0.586833 1.111782 0.214105
C 1.195401 -0.705189 0.246202
C 1.832494 1.648916 0.083923
C 3.200289 1.297089 0.075175
C 2.551755 -1.065986 0.229985
C 3.576280 -0.071812 0.184019
C 5.223612 2.287620 -0.926423
C 3.622474 -3.009074 -0.795159
C 5.366547 -0.959165 1.565246
H -4.615823 -1.778678 1.163273
H -3.227687 -1.749845 0.031178
H -5.382874 1.846159 0.514623
H -5.971056 0.424617 1.454897
H -4.737714 -1.371744 -1.902599
H -5.315183 -2.816367 -0.977185
H -7.461725 0.661829 -0.517205
H -6.034077 0.726063 -1.626029
H -1.613405 -0.760359 0.366800
H -0.763947 2.195724 0.163978
H 0.456072 -1.509221 0.303300
H 1.576984 2.711916 0.023782
H 5.823001 3.192337 -0.744411
H 4.808239 2.313118 -1.952312
H 5.830721 1.379103 -0.783247
H 4.572553 -2.469882 -0.956892
H 3.001996 -2.965535 -1.710377
H 3.814817 -4.057940 -0.522744
H 4.784011 -1.861904 1.821269
H 5.233499 -0.183868 2.341555
H 6.433434 -1.205398 1.453890


