Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
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)
-0.53100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00147
2
0.00000
0.00000
0.00140
3
-0.00072
0.00000
-0.00024
4
0.00072
0.00000
-0.00024
5
0.00426
0.00000
-0.04571
6
-0.00426
0.00000
-0.04571
7
0.01911
0.00000
0.01144
8
-0.01911
0.00000
0.01144
9
-0.02551
0.00000
0.01460
10
0.02551
0.00000
0.01460
11
-0.00020
0.00000
-0.00048
12
0.00020
0.00000
-0.00048
13
-0.03606
0.00000
0.51823
14
0.03606
0.00000
0.51823
15
-0.21871
0.00000
-0.13290
16
0.21871
0.00000
-0.13290
17
0.30449
0.00000
-0.16331
18
-0.30449
0.00000
-0.16331
19
-0.00191
-0.00427
0.00182
20
-0.00191
0.00427
0.00182
21
0.00191
-0.00427
0.00182
22
0.00191
0.00427
0.00182