%chk=000113158.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113158

0 1
 O  -0.1074000      -1.466200       1.145200    
 N    4.141700     -0.1820000     -0.1093000    
 N   0.5364000      0.6180000      0.3563000    
 C    2.723600     -0.1021000     -0.4581000    
 C    1.930100      0.5045000      0.6898000    
 C    4.665500       1.145900      0.2081000    
 C    4.903900     -0.7841000      -1.202600    
 C  -0.3819000     -0.3927000      0.6157000    
 C   -1.780100     -0.1317000      0.1864000    
 C   -2.595500      -1.202000     -0.1176000    
 C   -2.218900       1.173700      0.1069000    
 C   -3.908600     -0.9560000     -0.5189000    
 C   -3.531900       1.419800     -0.2945000    
 C   -4.376800      0.3550000     -0.6073000    
 H    2.336900      -1.108500     -0.6641000    
 H    2.569800      0.4881000      -1.371800    
 H    2.238500       1.527800      0.9201000    
 H    2.035600     -9.9100001E-02   1.598700    
 H   0.2602000       1.449100     -0.1553000    
 H    4.312200       1.503700       1.180200    
 H    4.427000       1.888100     -0.5625000    
 H    5.757800       1.111000      0.3050000    
 H    5.956700     -0.8991000     -0.9216000    
 H    4.854700     -0.1865000      -2.120100    
 H    4.529500      -1.789600      -1.425300    
 H   -2.245100      -2.228100     -5.8600001E-02
 H   -1.605800       2.027600      0.3751000    
 H   -4.566400      -1.784900     -0.7633000    
 H   -3.899500       2.440000     -0.3557000    
 H   -5.399700      0.5465000     -0.9181000    


%chk=000113158-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113158

0 1
O 0.040823 -1.581363 0.637372
N 4.204463 -0.013391 -0.104290
N 0.500444 0.688926 0.458005
C 2.766505 0.070752 -0.437775
C 1.926440 0.521477 0.785673
C 4.883523 1.296601 -0.113920
C 4.932180 -1.021845 -0.900424
C -0.364509 -0.394466 0.417108
C -1.807400 -0.093721 0.090704
C -2.604017 -1.165038 -0.387762
C -2.400163 1.184685 0.266431
C -3.961013 -0.958749 -0.710690
C -3.760753 1.390197 -0.052704
C -4.542736 0.321340 -0.548812
H 2.407661 -0.931528 -0.730527
H 2.571601 0.759683 -1.300138
H 2.304974 1.476259 1.192958
H 2.017752 -0.250542 1.567130
H 0.171932 1.602436 0.144814
H 4.372942 2.002817 0.564305
H 4.921314 1.763468 -1.132332
H 5.921045 1.180313 0.247349
H 5.967778 -1.112519 -0.524778
H 4.984253 -0.778907 -1.992464
H 4.443110 -2.005233 -0.789993
H -2.135024 -2.149387 -0.487690
H -1.824124 2.016468 0.690431
H -4.566094 -1.792034 -1.084412
H -4.212509 2.377265 0.095711
H -5.597899 0.482235 -0.796479


