Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
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)
-0.61200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00050
2
0.00000
0.00000
-0.00028
3
0.00248
0.00000
0.00124
4
-0.00248
0.00000
0.00124
5
0.00120
0.00000
0.00465
6
-0.00120
0.00000
0.00465
7
-0.04487
0.00000
0.02915
8
0.04487
0.00000
0.02915
9
-0.02359
0.00000
-0.01528
10
0.02359
0.00000
-0.01528
11
-0.00304
0.00000
-0.00424
12
0.00304
0.00000
-0.00424
13
-0.00572
0.00000
-0.06290
14
0.00572
0.00000
-0.06290
15
0.50514
0.00000
-0.31212
16
-0.50514
0.00000
-0.31212
17
0.26788
0.00000
0.14351
18
-0.26788
0.00000
0.14351
19
0.03076
0.00000
0.04541
20
-0.03076
0.00000
0.04541