%chk=000042997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042997

0 1
 O  -6.4900003E-02   1.883100     -9.8300003E-02
 O    2.111900       2.531700     -8.2699999E-02
 N    1.159400      -2.117300      0.3141000    
 N    3.062900      1.8900000E-02  0.1866000    
 C  -0.6419000     -0.4765000      9.2699997E-02
 C   0.7983000     -0.8006000      0.1771000    
 C   -1.021700      0.8575000     -4.1400000E-02
 C    1.706000      0.1986000      0.1187000    
 C   -1.674300      -1.428100      0.1374000    
 C   -2.358200       1.257700     -0.1281000    
 C    1.291400       1.620200     -2.7400000E-02
 C   -3.019200      -1.044700      5.1700000E-02
 C   -3.361000      0.2977000     -8.0799997E-02
 C    2.011400      -2.798200     -0.6195000    
 H   -1.463400      -2.490200      0.2311000    
 H   0.5121000      -2.708500      0.8257000    
 H   -2.616600       2.307500     -0.2322000    
 H   -3.798400      -1.801000      8.6999997E-02
 H   -4.403900      0.5919000     -0.1475000    
 H    1.623800      -3.805900     -0.8023000    
 H    3.022200      -2.907400     -0.2164000    
 H    2.065000      -2.287300      -1.587100    
 H    3.451200     -0.8964000      0.3671000    
 H    3.677200      0.8230000      0.1478000    


%chk=000042997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042997

0 1
O -0.082773 1.890934 -0.193843
O 2.130829 2.530587 -0.234922
N 1.105786 -2.192422 0.215822
N 3.062497 -0.012876 0.161620
C -0.688488 -0.488150 0.052325
C 0.728707 -0.845203 0.088212
C -1.053730 0.886100 -0.059271
C 1.686677 0.179794 0.033493
C -1.754082 -1.435425 0.119456
C -2.395659 1.312728 -0.069645
C 1.308114 1.583249 -0.151937
C -3.098477 -1.023227 0.111569
C -3.424466 0.355325 0.023919
C 2.183589 -2.826381 -0.566613
H -1.532941 -2.508507 0.156025
H 0.408795 -2.822701 0.608943
H -2.605165 2.382773 -0.157261
H -3.896683 -1.771000 0.164077
H -4.471023 0.676331 0.018412
H 1.829885 -3.794251 -0.966294
H 3.099215 -3.027001 0.027455
H 2.459621 -2.188809 -1.421531
H 3.428593 -0.863635 0.576539
H 3.640479 0.827467 0.136752


