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)
0.21600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00500
2
0.00000
0.00000
0.00596
3
-0.00354
0.00000
0.01202
4
0.00354
0.00000
0.01202
5
-0.00365
0.00000
-0.00426
6
0.00365
0.00000
-0.00426
7
0.01580
0.00000
0.00367
8
-0.01580
0.00000
0.00367
9
0.01317
0.00000
-0.01583
10
-0.01317
0.00000
-0.01583
11
0.18074
0.00000
0.00160
12
-0.18074
0.00000
0.00160
13
-0.04593
0.00000
-0.00676
14
0.04593
0.00000
-0.00676
15
0.02579
0.00000
-0.01261
16
-0.02579
0.00000
-0.01261
17
0.00804
0.00000
-0.03004
18
-0.00804
0.00000
-0.03004
19
0.21103
0.01317
0.03849
20
0.21103
-0.01317
0.03849
21
-0.21103
0.01317
0.03849
22
-0.21103
-0.01317
0.03849