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)
-0.20100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07638
0.00000
0.00000
2
0.03412
0.00000
0.00000
3
0.04957
0.00000
0.04371
4
0.04957
0.00000
-0.04371
5
0.00045
0.00000
-0.06343
6
0.00045
0.00000
0.06343
7
0.02934
0.00000
-0.04246
8
0.02934
0.00000
0.04246
9
-0.00617
0.00000
-0.06273
10
-0.00617
0.00000
0.06273
11
-0.10410
0.00000
-0.06251
12
-0.10410
0.00000
0.06251
13
-0.02665
0.00000
-0.06482
14
-0.02665
0.00000
0.06482
15
0.06844
0.00000
-0.10924
16
0.06844
0.00000
0.10924
17
-0.00577
0.00000
-0.06206
18
-0.00577
0.00000
0.06206
19
-0.16294
-0.00022
-0.10360
20
-0.16294
0.00022
-0.10360
21
-0.16294
0.00022
0.10360
22
-0.16294
-0.00022
0.10360