%chk=000139767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139767

0 1
 O    1.632000      -2.847900      0.3340000    
 O    2.226000       2.436300      0.6157000    
 N   0.9395000      0.5640000      0.9437000    
 N    2.836300     -0.9482000     -0.1463000    
 C   0.4869000     -0.7363000      0.4768000    
 C  -0.3882000     -0.6428000     -0.7634000    
 C    2.809700      0.4305000     -0.6093000    
 C    1.698500      -1.622500      0.2546000    
 C    2.010300       1.246200      0.3951000    
 C   -1.790900     -0.2082000     -0.4282000    
 C    4.220600      0.9759000     -0.7765000    
 C   -2.751000      -1.166300     -0.1351000    
 C   -2.102700       1.143900     -0.4177000    
 C   -4.050000     -0.7637000      0.1750000    
 C   -3.401800       1.546500     -0.1074000    
 C   -4.375400      0.5926000      0.1891000    
 H  -6.7500003E-02  -1.175500       1.316000    
 H  -0.4351000      -1.617500      -1.268000    
 H   3.3000000E-02  4.1600000E-02  -1.510200    
 H    2.288100      0.4527000      -1.571800    
 H   0.3472000       1.065300       1.598800    
 H    3.656600      -1.509300     -0.3560000    
 H    4.794400      0.3646000      -1.481300    
 H    4.203500       2.003700      -1.154200    
 H    4.760300      0.9795000      0.1775000    
 H   -2.507300      -2.224900     -0.1408000    
 H   -1.352800       1.895300     -0.6481000    
 H   -4.808000      -1.506300      0.4064000    
 H   -3.655100       2.602600     -9.6699998E-02
 H   -5.386700      0.9059000      0.4308000    


%chk=000139767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139767

0 1
O 1.684777 -2.856430 -0.406691
O 2.033787 2.582493 0.321948
N 0.811082 0.615587 0.434204
N 2.899124 -0.885437 -0.581119
C 0.512617 -0.790987 0.112811
C -0.611716 -0.925480 -0.972638
C 3.074216 0.582074 -0.612094
C 1.748987 -1.592932 -0.313707
C 1.931930 1.339710 0.092514
C -1.934322 -0.352619 -0.489058
C 4.436719 0.981706 -0.005768
C -2.796705 -1.133223 0.325759
C -2.315810 0.978568 -0.800457
C -4.008714 -0.598719 0.815481
C -3.528230 1.517425 -0.310687
C -4.377813 0.730415 0.499879
H 0.142694 -1.290581 1.029134
H -0.703603 -2.003904 -1.195558
H -0.272046 -0.413558 -1.892229
H 3.053215 0.933249 -1.666987
H 0.053547 1.161249 0.860166
H 3.707297 -1.456525 -0.848939
H 5.268210 0.554354 -0.595877
H 4.524876 2.079663 -0.009151
H 4.519046 0.624815 1.035345
H -2.521252 -2.168293 0.565075
H -1.666343 1.591056 -1.438258
H -4.666807 -1.216978 1.436325
H -3.809240 2.545765 -0.563964
H -5.319126 1.145238 0.877042


