Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.48811
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Symmetry Elements
S0
Rotational Constants
(cm-1)
0.05036 b
(cm-1)
0.04065 c
(cm-1)
0.02249
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.14723
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.01100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06329
0.00000
0.00000
2
0.05056
0.00000
0.00000
3
0.01890
0.00000
0.00156
4
0.01890
0.00000
-0.00156
5
0.02399
0.00000
0.07133
6
0.02399
0.00000
-0.07133
7
-0.04743
0.00000
-0.10660
8
-0.04743
0.00000
0.10660
9
-0.05188
0.00000
0.05827
10
-0.05188
0.00000
-0.05827
11
-0.01660
0.00000
0.02426
12
-0.01660
0.00000
-0.02426
13
0.16147
0.00000
0.08730
14
0.16147
0.00000
-0.08730
15
0.05761
0.00000
-0.29619
16
0.05761
0.00000
0.29619
17
-0.03258
0.00000
0.11368
18
-0.03258
0.00000
-0.11368
19
0.00517
0.00000
0.04139
20
0.00517
0.00000
-0.04139