%chk=000017831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017831

0 1
 O    1.526000     -0.3052000      -1.507600    
 N    3.186600       1.457700      0.1457000    
 C    1.141800      1.5500000E-02 -0.1623000    
 C    1.723400      -1.087100      0.7621000    
 C  -0.3871000      9.3999997E-02 -6.6799998E-02
 C    1.724600       1.419700      0.1512000    
 C    1.152100      -2.480700      0.5042000    
 C  -0.9540000      0.3730000       1.153600    
 C   -1.126400     -0.1183000      -1.205600    
 C   -2.344400      0.4441000       1.240300    
 C   -2.516800     -4.6999998E-02  -1.118900    
 C   -3.125800      0.2342000      0.1041000    
 H    2.806600      -1.165700      0.6071000    
 H    1.570900     -0.8325000       1.817500    
 H    1.374200       2.135400     -0.6030000    
 H    1.387600       1.786700       1.126900    
 H    1.293900      -2.782800     -0.5381000    
 H    1.662900      -3.214100       1.137000    
 H   8.5000001E-02  -2.532200      0.7387000    
 H  -0.3632000      0.5354000       2.048900    
 H  -0.6905000     -0.3387000      -2.173700    
 H    2.497400     -0.2846000      -1.551900    
 H    3.548100      0.9101000      0.9252000    
 H    3.497100       2.414600      0.3107000    
 H   -2.818800      0.6620000       2.192800    
 H   -3.125800     -0.2104000      -2.003400    
 H   -4.208300      0.2894000      0.1717000    


%chk=000017831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017831

0 1
O 1.600392 -0.335010 -1.400514
N 3.171093 1.417214 -0.176172
C 1.152400 -0.033071 -0.037503
C 1.688498 -1.129397 0.934083
C -0.375687 0.058994 -0.015654
C 1.772214 1.371229 0.318625
C 1.219999 -2.549137 0.558259
C -1.066227 0.307385 1.199695
C -1.122765 -0.073643 -1.211339
C -2.473941 0.427906 1.217446
C -2.531597 0.042024 -1.193494
C -3.213536 0.295281 0.019142
H 2.797682 -1.094024 0.911378
H 1.379611 -0.889412 1.971657
H 1.195387 2.144515 -0.217895
H 1.677413 1.567213 1.406310
H 1.480457 -2.762727 -0.492785
H 1.698362 -3.308896 1.203355
H 0.124849 -2.648559 0.664711
H -0.510607 0.403602 2.140976
H -0.578128 -0.269889 -2.138868
H 2.497485 0.134140 -1.437435
H 3.869379 1.036967 0.469824
H 3.459907 2.321735 -0.557288
H -2.992301 0.621518 2.163791
H -3.097385 -0.068301 -2.126074
H -4.305855 0.384840 0.032167


