%chk=000031184.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031184

0 1
 O    1.622200      0.1865000     -6.3000001E-02
 O   0.3701000      -1.736700      0.1749000    
 N   -3.141400      0.6129000     -0.3671000    
 C   -4.421300     -7.8599997E-02 -0.3105000    
 C   -3.921900      0.7209000      0.8573000    
 C   -2.041000     -0.3269000     -0.1929000    
 C  -0.7053000      0.4104000     -0.2137000    
 C   0.4604000     -0.5306000     -8.5000005E-03
 C    2.823200     -0.5717000      0.1143000    
 C    3.995800      0.3001000      3.6300000E-02
 C    4.959100       1.013600     -2.7100001E-02
 H   -4.427100      -1.158000     -0.2314000    
 H   -5.211100      0.3475000     -0.9147000    
 H   -4.375400       1.687300       1.037300    
 H   -3.604800      0.1949000       1.748000    
 H   -2.048900      -1.040700      -1.028400    
 H   -2.108000     -0.9369000      0.7192000    
 H  -0.6785000       1.157000      0.5888000    
 H  -0.5719000      0.9161000      -1.177300    
 H    2.794500      -1.065300       1.092500    
 H    2.881200      -1.339200     -0.6662000    
 H    5.813500       1.646800     -8.3499998E-02


%chk=000031184-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031184

0 1
O 1.594059 0.191922 -0.103573
O 0.537738 -1.842054 -0.529280
N -3.235711 0.328020 -0.491671
C -4.537950 -0.113576 0.125388
C -3.770143 1.058984 0.718630
C -2.068979 -0.562172 -0.245092
C -0.780055 0.255942 -0.437637
C 0.467263 -0.601787 -0.367074
C 2.892339 -0.561884 -0.065061
C 3.957640 0.369916 0.301399
C 4.891027 1.113357 0.606434
H -4.548540 -1.048754 0.702909
H -5.429348 0.063620 -0.483846
H -4.104250 2.085217 0.538567
H -3.271896 0.892697 1.684732
H -2.099984 -1.382864 -0.983056
H -2.078277 -1.025893 0.771441
H -0.702533 1.075983 0.297806
H -0.814056 0.738112 -1.434512
H 2.799048 -1.386281 0.665540
H 3.067097 -1.009732 -1.060744
H 5.698909 1.770626 0.873002


