%chk=000017542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017542

0 1
 O   -1.912800      0.1020000       1.277800    
 N   0.5758000     -2.8800000E-02  0.1589000    
 N   -2.825400     -0.8579000     -0.6302000    
 N   -4.119000     -0.5333000     -0.2744000    
 C   0.3029000       1.329900     -0.3155000    
 C    1.907600     -0.4580000     -0.2747000    
 C  -0.4429000     -0.9540000     -0.3160000    
 C    1.356500       2.298300      0.2161000    
 C    2.236400      -1.831300      0.3051000    
 C    1.083400       3.721700     -0.2452000    
 C    3.624600      -2.291000     -0.1133000    
 C   -1.787100     -0.4977000      0.2114000    
 H   0.2954000       1.363600      -1.413600    
 H  -0.6698000       1.705300      1.6500000E-02
 H    1.987300     -0.4761000      -1.369300    
 H    2.695400      0.1953000      0.1071000    
 H  -0.3310000      -1.963100      9.0899996E-02
 H  -0.4585000      -1.018400      -1.410900    
 H    1.384400       2.271800       1.311800    
 H    2.360900       2.073800     -0.1518000    
 H    2.177700      -1.808900       1.399900    
 H    1.549500      -2.605500     -4.7899999E-02
 H    1.090200       3.789700      -1.337900    
 H   0.1103000       4.070900      0.1148000    
 H    1.849900       4.400500      0.1420000    
 H    3.703800      -2.361700      -1.202900    
 H    4.392600      -1.597100      0.2430000    
 H    3.840400      -3.278300      0.3074000    
 H   -2.680400      -1.364100      -1.498100    
 H   -4.649500      -1.403500     -0.2624000    
 H   -4.505000      2.1000000E-02  -1.037500    


%chk=000017542-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017542

0 1
O -1.956145 -0.770026 1.323649
N 0.606763 -0.141281 -0.230852
N -2.880158 -0.510902 -0.790056
N -4.204092 -0.278856 -0.328113
C 0.407803 1.269551 -0.645084
C 1.953742 -0.687529 -0.529929
C -0.479205 -1.037327 -0.657530
C 1.105222 2.277252 0.294062
C 2.404772 -1.777626 0.466394
C 0.874764 3.738001 -0.150024
C 3.808031 -2.326304 0.128329
C -1.808792 -0.756406 0.069186
H 0.745013 1.444342 -1.700563
H -0.678888 1.480936 -0.623664
H 2.012931 -1.091439 -1.574802
H 2.676745 0.147374 -0.480698
H -0.199962 -2.075349 -0.400736
H -0.646669 -1.014928 -1.769737
H 0.717603 2.114811 1.316666
H 2.193029 2.071720 0.332279
H 2.389166 -1.344412 1.483403
H 1.676787 -2.612774 0.474751
H 1.271205 3.916466 -1.167917
H -0.203504 3.986595 -0.161057
H 1.374863 4.445983 0.535209
H 3.830710 -2.775924 -0.882892
H 4.568790 -1.523028 0.154931
H 4.116177 -3.104232 0.849865
H -2.753127 -0.472023 -1.802713
H -4.560400 -1.111608 0.163598
H -4.219572 0.534042 0.305144


