%chk=000124088.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124088

0 1
 O   -2.174600     -0.8223000     -0.8841000    
 O   -3.330200     -0.2739000       1.068800    
 O   -5.414900      0.8016000     -0.4862000    
 N  -0.2469000     -2.7300000E-02  0.1983000    
 N   0.7201000       1.988700      0.2447000    
 N    1.725400      -1.418100     -8.9900002E-02
 N    3.759300     -7.3299997E-02 -0.1931000    
 N    3.731700       2.313500     -2.2800000E-02
 N    3.828000      -2.408800     -0.3607000    
 C   -1.301300      -1.039800      0.2289000    
 C   -2.183100      -1.025000       1.464300    
 C   -3.464600     -0.5644000     -0.3236000    
 C    1.099000     -0.2405000      5.3100001E-02
 C  -0.4191000       1.331600      0.3088000    
 C   -4.125700      0.5941000      -1.040600    
 C    1.677300       1.018400      8.4899999E-02
 C    3.061200       1.078300     -4.4599999E-02
 C    3.058500      -1.232800     -0.2062000    
 H  -0.8141000      -2.013900      0.1151000    
 H   -2.519700      -2.037400       1.714900    
 H   -1.717900     -0.5814000       2.349100    
 H   -4.075700      -1.470500     -0.4195000    
 H   -1.393000       1.783500      0.4361000    
 H   -4.216500      0.3915000      -2.112400    
 H   -3.544700       1.513400     -0.9136000    
 H   -5.814200       1.549000     -0.9632000    
 H    3.213200       3.174300      8.8500001E-02
 H    4.737900       2.330700     -0.1182000    
 H    4.831900      -2.336800     -0.4522000    
 H    3.364400      -3.306600     -0.3778000    


%chk=000124088-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124088

0 1
O -2.192118 -0.967507 -0.768958
O -3.314465 -0.089075 1.108027
O -5.494685 0.671809 -0.915872
N -0.269391 -0.041352 0.381853
N 0.714803 2.033376 0.426932
N 1.725288 -1.430830 -0.110729
N 3.773528 -0.058045 -0.319276
N 3.767645 2.287276 -0.067214
N 3.821137 -2.380260 -0.570456
C -1.287354 -1.086412 0.399356
C -2.254190 -0.992138 1.604739
C -3.530480 -0.533297 -0.268534
C 1.092325 -0.251126 0.115972
C -0.435530 1.354293 0.553430
C -4.047293 0.598729 -1.142860
C 1.679217 1.039847 0.154366
C 3.085792 1.098005 -0.078719
C 3.073977 -1.248511 -0.324607
H -0.750774 -2.046050 0.320524
H -2.671313 -1.989746 1.846501
H -1.810335 -0.529229 2.496913
H -4.213124 -1.407511 -0.293719
H -1.408802 1.788076 0.770505
H -3.810728 0.345094 -2.196237
H -3.526703 1.537463 -0.866236
H -5.874061 1.419952 -1.439949
H 3.262876 3.153121 0.108315
H 4.770261 2.288076 -0.238829
H 4.818037 -2.284598 -0.738306
H 3.358157 -3.283631 -0.600132


