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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-2.04100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00068
2
0.00000
0.00000
-0.00042
3
0.00001
0.00000
-0.00015
4
-0.00001
0.00000
-0.00015
5
-0.00019
0.00000
0.00101
6
0.00019
0.00000
0.00101
7
0.00229
0.00000
0.00057
8
-0.00229
0.00000
0.00057
9
-0.00056
0.00000
-0.00012
10
0.00056
0.00000
-0.00012
11
0.02834
0.00000
-0.03573
12
-0.02834
0.00000
-0.03573
13
0.00106
0.00000
-0.00556
14
-0.00106
0.00000
-0.00556
15
-0.02331
0.00000
-0.01368
16
0.02331
0.00000
-0.01368
17
0.00551
0.00000
-0.00189
18
-0.00551
0.00000
-0.00189
19
-0.15759
-0.40319
0.21872
20
-0.15759
0.40319
0.21872
21
0.15759
-0.40319
0.21872
22
0.15759
0.40319
0.21872