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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
-0.04400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01613
2
0.00000
0.00000
-0.02634
3
0.03021
0.00000
0.00575
4
-0.03021
0.00000
0.00575
5
0.04496
0.00000
0.05935
6
-0.04496
0.00000
0.05935
7
-0.02807
0.00000
-0.10185
8
0.02807
0.00000
-0.10185
9
-0.03959
0.00000
0.05205
10
0.03959
0.00000
0.05205
11
0.01374
0.00000
-0.00453
12
-0.01374
0.00000
-0.00453
13
0.29465
0.00000
0.07959
14
-0.29465
0.00000
0.07960
15
0.09606
0.00000
-0.32226
16
-0.09606
0.00000
-0.32227
17
-0.01999
0.00000
0.10454
18
0.01999
0.00000
0.10454
19
0.05818
0.00378
0.03533
20
0.05818
-0.00378
0.03533
21
-0.05818
0.00378
0.03533
22
-0.05818
-0.00378
0.03533