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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.02900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.11992
2
0.00000
0.00000
-0.09075
3
-0.03656
0.00000
-0.04654
4
0.03656
0.00000
-0.04654
5
-0.02585
0.00000
0.09769
6
0.02585
0.00000
0.09769
7
0.02323
0.00000
-0.01697
8
-0.02323
0.00000
-0.01697
9
-0.00521
0.00000
-0.01486
10
0.00521
0.00000
-0.01486
11
0.01542
0.00000
0.08702
12
-0.01542
0.00000
0.08702
13
0.02069
0.00000
0.10837
14
-0.02069
0.00000
0.10837
15
0.00212
0.00000
0.01688
16
-0.00212
0.00000
0.01688
17
-0.12169
0.00000
-0.23481
18
0.12169
0.00000
-0.23481
19
0.02129
0.00000
0.09760
20
-0.02129
0.00000
0.09760