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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
-0.85100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04357
2
0.00000
0.00000
0.01917
3
0.01733
0.00000
-0.05661
4
-0.01733
0.00000
-0.05661
5
-0.01856
0.00000
-0.00034
6
0.01856
0.00000
-0.00034
7
0.00021
0.00000
-0.03336
8
-0.00021
0.00000
-0.03336
9
0.00692
0.00000
0.05761
10
-0.00692
0.00000
0.05760
11
0.01798
0.00000
0.03739
12
-0.01798
0.00000
0.03739
13
-0.22180
0.00000
-0.01585
14
0.22181
0.00000
-0.01585
15
0.15528
0.00000
-0.29225
16
-0.15527
0.00000
-0.29222
17
0.19380
0.00000
0.40741
18
-0.19378
0.00000
0.40738
19
-0.01049
-0.01014
-0.00490
20
-0.01049
0.01014
-0.00490
21
0.01049
-0.01014
-0.00490
22
0.01049
0.01014
-0.00490