Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
-0.37300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.12984
2
0.00000
0.00000
-0.09943
3
0.00935
0.00000
-0.07038
4
-0.00935
0.00000
-0.07038
5
0.01616
0.00000
0.03986
6
-0.01616
0.00000
0.03986
7
-0.02961
0.00000
0.09509
8
0.02961
0.00000
0.09509
9
-0.02186
0.00000
-0.08846
10
0.02186
0.00000
-0.08846
11
0.00135
0.00000
-0.00034
12
-0.00135
0.00000
-0.00034
13
-0.02975
0.00000
0.03599
14
0.02975
0.00000
0.03599
15
0.09144
0.00000
-0.10378
16
-0.09144
0.00000
-0.10378
17
0.06469
0.00000
0.07533
18
-0.06469
0.00000
0.07533
19
-0.00426
0.02909
0.04993
20
-0.00426
-0.02909
0.04993
21
0.00426
0.02909
0.04993
22
0.00426
-0.02909
0.04993