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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
2.24800
Eigenvectors
#
X
Y
Z
1
-0.00001
0.00000
-0.02248
2
0.00002
0.00000
-0.00796
3
-0.04974
0.00000
0.04542
4
0.04973
0.00000
0.04539
5
0.01956
0.00000
0.02741
6
-0.01958
0.00000
0.02741
7
0.07147
0.00000
-0.03379
8
-0.07144
0.00000
-0.03374
9
-0.06107
0.00000
-0.06517
10
0.06106
0.00000
-0.06518
11
-0.01302
0.00000
-0.01380
12
0.01303
0.00000
-0.01380
13
-0.01620
0.00000
0.03069
14
0.01625
0.00000
0.03068
15
-0.11115
0.00000
0.27641
16
0.11106
0.00000
0.27625
17
0.16917
0.00000
0.36269
18
-0.16913
0.00000
0.36257
19
0.02384
-0.01322
-0.00653
20
0.02384
0.01322
-0.00653
21
-0.02388
-0.01327
-0.00657
22
-0.02388
0.01327
-0.00657