%chk=000138453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138453

0 1
 O   -2.603000      0.4506000       1.049100    
 O   -2.286200     -0.9874000     -0.5899000    
 O   2.1299999E-02  -2.334600      0.5145000    
 O    2.872800      7.4199997E-02  0.4945000    
 O    1.149800      -1.627000      -1.227700    
 O    1.873300       1.744400     -0.5071000    
 N   -1.979100     -7.4000000E-03  9.0700001E-02
 N   0.5678000      -1.442500     -0.1489000    
 N    1.858000      0.6541000      7.8199998E-02
 C  -0.7270000      0.7140000     -0.3041000    
 C   0.4876000      4.1999999E-03  0.3899000    
 C  -0.9571000       2.188500      7.2800003E-02
 C  -0.6960000      0.6124000      -1.843100    
 C   0.4177000     -4.3499999E-02   1.931100    
 H   -1.925300       2.556400     -0.2925000    
 H  -0.2071000       2.852600     -0.3654000    
 H  -0.9365000       2.351200       1.156000    
 H   -1.575300       1.103900      -2.282400    
 H  -0.6906000     -0.4038000      -2.248500    
 H   0.1766000       1.124800      -2.260900    
 H  -0.5023000     -0.5099000       2.297500    
 H   0.4737000      0.9624000       2.362000    
 H    1.245000     -0.6213000       2.362600    


%chk=000138453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138453

0 1
O -2.628065 0.219530 1.155951
O -2.384931 -1.066284 -0.702493
O 0.082122 -2.367251 0.718181
O 2.877429 -0.030180 0.448025
O 1.068811 -1.702137 -1.228498
O 1.937203 1.672643 -0.730426
N -2.028191 -0.110850 0.071012
N 0.549506 -1.486476 -0.078525
N 1.875408 0.610666 -0.021945
C -0.731815 0.743241 -0.361029
C 0.458873 0.026156 0.397599
C -0.952816 2.178174 0.159290
C -0.664919 0.696315 -1.898796
C 0.410247 0.067783 1.926038
H -1.811981 2.621282 -0.371573
H -0.061315 2.786678 -0.058347
H -1.173488 2.204784 1.235848
H -1.602312 1.112410 -2.304275
H -0.543022 -0.322014 -2.291654
H 0.173398 1.319340 -2.245094
H -0.548999 -0.324121 2.293797
H 0.526968 1.106122 2.276920
H 1.229988 -0.539509 2.338395


