%chk=000031721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031721

0 1
 O   -3.459600     -0.4358000      0.2707000    
 N    4.188800      0.9056000      0.1891000    
 C    2.031000      0.2893000     -0.8067000    
 C    2.920100      0.2187000      0.4483000    
 C   0.5616000      9.4999999E-02 -0.5186000    
 C    3.228200      -1.218800      0.8676000    
 C   2.7400000E-02  -1.183300     -0.5452000    
 C  -0.2251000       1.199000     -0.2323000    
 C   -1.330000      -1.362300     -0.2785000    
 C   -1.582500       1.020000      3.4699999E-02
 C   -2.135000     -0.2607000      1.1400000E-02
 C   -4.224800      0.7333000      0.5596000    
 H    2.363700     -0.4374000      -1.560400    
 H    2.143000       1.269400      -1.292600    
 H    2.433500      0.7313000       1.286600    
 H    3.910900      -1.237700       1.724800    
 H    3.694100      -1.786400      5.4200001E-02
 H    2.317700      -1.744700       1.170500    
 H   0.6444000      -2.047400     -0.7736000    
 H   0.1971000       2.199600     -0.2092000    
 H    4.007000       1.870400     -8.5199997E-02
 H    4.659800      0.4709000     -0.6038000    
 H   -1.754800      -2.362200     -0.2990000    
 H   -2.149600       1.918400      0.2530000    
 H   -3.878700       1.224700       1.475200    
 H   -5.254800      0.4089000      0.7407000    
 H   -4.251000       1.418300     -0.2946000    


%chk=000031721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031721

0 1
O -3.496373 -0.522511 0.207802
N 4.406477 0.736531 0.075643
C 2.107386 0.305660 -0.935229
C 3.004594 0.357292 0.356820
C 0.625400 0.116038 -0.656240
C 2.993005 -0.983227 1.115319
C -0.013609 -1.140887 -0.839326
C -0.162481 1.187173 -0.167083
C -1.377989 -1.322968 -0.545724
C -1.534149 1.027191 0.137101
C -2.143966 -0.237399 -0.053082
C -4.327711 0.568489 0.718305
H 2.487175 -0.510278 -1.582566
H 2.270588 1.255710 -1.483950
H 2.579717 1.137235 1.020896
H 3.588631 -0.900266 2.040306
H 3.434321 -1.787100 0.491952
H 1.963727 -1.283182 1.375609
H 0.567662 -1.988650 -1.222290
H 0.298786 2.173241 -0.026843
H 4.509610 1.638575 -0.402875
H 4.941539 -0.002524 -0.395004
H -1.871052 -2.289125 -0.691614
H -2.106926 1.882130 0.509386
H -3.951704 0.942211 1.691035
H -5.327630 0.129812 0.852050
H -4.382629 1.406929 -0.003698


