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)
1.57900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04968
2
0.00000
0.00000
-0.01234
3
-0.10638
0.00000
0.02195
4
0.10638
0.00000
0.02195
5
0.07585
0.00000
0.01122
6
-0.07585
0.00000
0.01122
7
0.08688
0.00000
-0.06073
8
-0.08688
0.00000
-0.06073
9
-0.06098
0.00000
-0.00832
10
0.06098
0.00000
-0.00832
11
-0.01034
0.00000
-0.01548
12
0.01034
0.00000
-0.01548
13
-0.17137
0.00000
-0.00302
14
0.17137
0.00000
-0.00302
15
-0.05375
0.00000
0.18167
16
0.05375
0.00000
0.18167
17
0.00534
0.00000
0.13080
18
-0.00534
0.00000
0.13080
19
0.01415
0.02245
0.03988
20
0.01415
-0.02245
0.03988
21
-0.01415
0.02245
0.03988
22
-0.01415
-0.02245
0.03988