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)
-0.62800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00007
2
0.00000
0.00000
-0.00028
3
-0.00175
0.00000
0.00129
4
0.00175
0.00000
0.00129
5
-0.00147
0.00000
0.01894
6
0.00147
0.00000
0.01894
7
0.04648
0.00000
0.02901
8
-0.04648
0.00000
0.02901
9
0.00920
0.00000
-0.00729
10
-0.00920
0.00000
-0.00729
11
-0.00155
0.00000
0.00132
12
0.00155
0.00000
0.00132
13
0.01504
0.00000
-0.22711
14
-0.01504
0.00000
-0.22711
15
-0.53219
0.00000
-0.32300
16
0.53219
0.00000
-0.32300
17
-0.10363
0.00000
0.05760
18
0.10363
0.00000
0.05760
19
0.00712
0.01698
-0.01076
20
0.00712
-0.01698
-0.01076
21
-0.00712
0.01698
-0.01076
22
-0.00712
-0.01698
-0.01076