%chk=000139387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139387

0 1
 I   -1.048600       3.013000       0.000000    
 O    2.505900      -1.374900     -1.9999999E-04
 N    1.179500      0.5709000      3.0000001E-04
 N    3.484400      0.6899000     -9.9999997E-05
 C  -0.1293000      7.8800000E-02  9.9999997E-05
 C   -1.237800      0.9257000       0.000000    
 C  -0.3087000      -1.304600      9.9999997E-05
 C   -2.525400      0.3892000     -9.9999997E-05
 C   -1.596400      -1.840900       0.000000    
 C   -2.704700     -0.9941000       0.000000    
 C    2.381100     -0.1529000       0.000000    
 H   0.4856000      -2.035600      1.9999999E-04
 H    1.266000       1.584300      3.0000001E-04
 H   -3.405100       1.027900     -3.0000001E-04
 H   -1.737900      -2.918000       0.000000    
 H   -3.707200      -1.412000     -1.9999999E-04
 H    4.428300      0.3180000     -3.9999999E-04
 H    3.385000       1.699400     -3.0000001E-04


%chk=000139387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139387

0 1
I -0.989493 3.046780 -0.000052
O 2.558577 -1.363099 -0.000030
N 1.196392 0.579725 0.000024
N 3.529610 0.750100 -0.000091
C -0.102592 0.025400 0.000000
C -1.240711 0.887515 -0.000029
C -0.341599 -1.380278 0.000010
C -2.555622 0.383568 -0.000041
C -1.656527 -1.883103 -0.000013
C -2.769759 -1.013781 -0.000030
C 2.427786 -0.104394 -0.000063
H 0.526479 -2.043102 0.000031
H 1.221824 1.604930 0.000103
H -3.405487 1.071904 -0.000058
H -1.807868 -2.967996 -0.000008
H -3.792000 -1.404945 -0.000039
H 4.445634 0.308603 -0.000085
H 3.470059 1.766273 -0.000228


