%chk=000127826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127826

0 1
 O   -1.320300       2.124000      0.1058000    
 N  -5.1300000E-02  -1.168500     -0.3335000    
 N  -0.6193000       1.067500      1.7200001E-02
 C    1.181900     -0.3914000     -5.8499999E-02
 C   -1.196900     -0.2896000     -5.9000000E-02
 C   0.6846000       1.038200     -5.7999999E-03
 C    1.887900     -0.7140000       1.264400    
 C    2.137600     -0.5764000      -1.240200    
 C   -1.935600     -0.5253000       1.263500    
 C   -2.152700     -0.3158000      -1.252800    
 C  -0.1145000      -2.521100      0.1857000    
 C    1.498600       2.272400      0.1133000    
 H    1.217200     -0.5866000       2.121500    
 H    2.275100      -1.738400       1.280700    
 H    2.739500     -4.3000001E-02   1.428200    
 H    2.419700      -1.627700      -1.366700    
 H    1.686900     -0.2318000      -2.178800    
 H    3.062100     -5.2000000E-03  -1.100500    
 H   -2.722100      0.2227000       1.419400    
 H   -2.419500      -1.507800       1.284800    
 H   -1.258700     -0.4589000       2.122700    
 H   -2.985600      0.3838000      -1.116900    
 H   -1.644400     -3.3799998E-02  -2.183000    
 H   -2.582000      -1.314200      -1.393600    
 H   0.7340000      -3.111900     -0.1757000    
 H   -1.016000      -3.028000     -0.1756000    
 H  -0.1167000      -2.563800       1.279600    
 H    1.605700       2.530500       1.170500    
 H    1.025800       3.105300     -0.4136000    
 H    2.492300       2.116400     -0.3117000    


%chk=000127826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127826

0 1
O -1.417818 2.174264 -0.020526
N -0.040666 -1.119938 -0.302438
N -0.624709 1.111911 -0.043692
C 1.220227 -0.361407 -0.007811
C -1.246545 -0.293537 -0.055200
C 0.710408 1.072099 -0.018600
C 1.860415 -0.698562 1.379737
C 2.263964 -0.612251 -1.129072
C -1.946146 -0.496076 1.314383
C -2.262997 -0.371071 -1.207794
C -0.107538 -2.550369 -0.001118
C 1.527258 2.322334 0.034119
H 1.145990 -0.527672 2.204451
H 2.189940 -1.753328 1.412491
H 2.748802 -0.065457 1.556718
H 2.553232 -1.679061 -1.155040
H 1.836264 -0.345013 -2.109662
H 3.182698 -0.020662 -0.960247
H -2.700378 0.297724 1.451244
H -2.453412 -1.476085 1.346791
H -1.224121 -0.442040 2.147941
H -3.023010 0.418979 -1.081852
H -1.749715 -0.230609 -2.173018
H -2.765020 -1.355061 -1.211555
H 0.776416 -3.060558 -0.424376
H -0.997283 -2.989671 -0.487916
H -0.157017 -2.799553 1.085153
H 2.113833 2.388938 0.971164
H 0.854220 3.194929 -0.017793
H 2.246007 2.374403 -0.805084


