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)
0.18200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.16184
2
0.00000
0.00000
-0.11767
3
-0.01444
0.00000
-0.07065
4
0.01444
0.00000
-0.07065
5
0.00595
0.00000
0.03384
6
-0.00595
0.00000
0.03384
7
-0.01384
0.00000
0.07940
8
0.01384
0.00000
0.07940
9
-0.01635
0.00000
-0.07601
10
0.01635
0.00000
-0.07601
11
0.00108
0.00000
0.00640
12
-0.00108
0.00000
0.00640
13
-0.04051
0.00000
0.03544
14
0.04051
0.00000
0.03544
15
0.09714
0.00000
-0.08703
16
-0.09714
0.00000
-0.08703
17
0.07376
0.00000
0.07691
18
-0.07376
0.00000
0.07691
19
0.00742
0.00233
0.01674
20
0.00742
-0.00233
0.01674
21
-0.00742
0.00233
0.01674
22
-0.00742
-0.00233
0.01674