Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.13600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01195
0.00000
0.00000
2
0.04771
0.00000
0.00000
3
-0.01562
0.00000
0.05807
4
-0.01562
0.00000
-0.05807
5
0.02622
0.00000
-0.08424
6
0.02622
0.00000
0.08424
7
-0.08727
0.00000
0.03098
8
-0.08727
0.00000
-0.03098
9
-0.05756
0.00000
0.02528
10
-0.05756
0.00000
-0.02528
11
0.09799
0.00000
-0.05613
12
0.09799
0.00000
0.05613
13
0.05824
0.00000
-0.08336
14
0.05824
0.00000
0.08336
15
-0.07416
0.00000
0.01001
16
-0.07416
0.00000
-0.01001
17
-0.00383
0.00000
0.12771
18
-0.00383
0.00000
-0.12771
19
0.09624
0.00000
-0.05870
20
0.09624
0.00000
0.05870