%chk=000080453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080453

0 1
 O   0.9771000      -2.365900      3.9999999E-04
 O   -2.937200      4.9699999E-02  5.0000002E-04
 N  -0.9274000       1.161100     -1.9999999E-04
 N  -0.9846000      -1.168900     -3.9999999E-04
 N    2.515000     -0.1203000     -9.9999997E-05
 C   0.4506000       1.160600       0.000000    
 C    1.155900      1.1900000E-02   0.000000    
 C   0.3957000      -1.282300     -9.9999997E-05
 C    1.061100       2.534900      1.9999999E-04
 C   -1.706100      1.9200001E-02 -3.0000001E-04
 H   -1.399700       2.060900       0.000000    
 H   0.7406000       3.090900     -0.8877000    
 H    2.153900       2.525700      7.9999998E-04
 H   0.7397000       3.091000      0.8878000    
 H   -1.519200      -2.032900     -3.0000001E-04
 H    2.928000      -1.044800     -3.9999999E-04
 H    3.115700      0.6928000     -3.0000001E-04


%chk=000080453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080453

0 1
O 1.010408 -2.407197 -0.000064
O -3.009898 0.018263 0.000225
N -0.958333 1.165243 -0.000041
N -0.975971 -1.169457 -0.000229
N 2.544679 -0.145760 -0.000043
C 0.456733 1.202069 -0.000032
C 1.164077 0.010104 -0.000127
C 0.428718 -1.279340 -0.000258
C 1.065875 2.583631 0.000133
C -1.746177 0.013309 -0.000075
H -1.480203 2.043366 0.000178
H 0.758545 3.159847 -0.895030
H 2.166605 2.544582 0.000645
H 0.757757 3.159934 0.894968
H -1.509046 -2.044913 -0.000152
H 2.892695 -1.103918 -0.000096
H 3.192636 0.633837 -0.000102


