Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.57300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00018
0.00000
0.00000
2
-0.00221
0.00000
0.00000
3
0.00138
0.00000
-0.00078
4
0.00138
0.00000
0.00078
5
0.00136
0.00000
-0.03402
6
0.00136
0.00000
0.03402
7
-0.03592
0.00000
-0.02055
8
-0.03592
0.00000
0.02055
9
0.02320
0.00000
-0.00890
10
0.02320
0.00000
0.00890
11
0.00135
0.00000
-0.00304
12
0.00135
0.00000
0.00304
13
-0.02747
0.00000
0.38090
14
-0.02747
0.00000
-0.38090
15
0.41214
0.00000
0.24438
16
0.41214
0.00000
-0.24438
17
-0.24819
0.00000
0.12704
18
-0.24819
0.00000
-0.12704
19
-0.01946
0.00000
0.02919
20
-0.01946
0.00000
-0.02919