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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
2.04200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03055
2
0.00000
0.00000
-0.00640
3
-0.07549
0.00000
-0.04407
4
0.07549
0.00000
-0.04407
5
-0.02860
0.00000
-0.02556
6
0.02860
0.00000
-0.02556
7
0.06283
0.00000
-0.00372
8
-0.06283
0.00000
-0.00372
9
-0.03660
0.00000
0.08679
10
0.03660
0.00000
0.08679
11
-0.03324
0.00000
0.01934
12
0.03324
0.00000
0.01934
13
0.22190
0.00000
-0.05064
14
-0.22190
0.00000
-0.05064
15
-0.00094
0.00000
-0.12680
16
0.00094
0.00000
-0.12680
17
0.18794
0.00000
-0.32421
18
-0.18794
0.00000
-0.32421
19
0.04514
0.00000
-0.03241
20
-0.04514
0.00000
-0.03241