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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.07300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03944
0.00000
0.00000
2
-0.03482
0.00000
0.00000
3
0.02261
0.00000
-0.04533
4
0.02261
0.00000
0.04533
5
-0.02285
0.00000
-0.02222
6
-0.02285
0.00000
0.02222
7
0.00560
0.00000
-0.04323
8
0.00560
0.00000
0.04323
9
0.01607
0.00000
0.06881
10
0.01607
0.00000
-0.06881
11
0.00731
0.00000
-0.00487
12
0.00731
0.00000
0.00487
13
-0.10586
0.00000
-0.02764
14
-0.10586
0.00000
0.02764
15
0.12412
0.00000
-0.24204
16
0.12412
0.00000
0.24204
17
0.21764
0.00000
0.45213
18
0.21764
0.00000
-0.45213
19
-0.06802
-0.00012
-0.05912
20
-0.06802
0.00012
-0.05912
21
-0.06802
0.00012
0.05912
22
-0.06802
-0.00012
0.05912