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)
0.61800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01773
0.00000
0.00000
2
0.09731
0.00000
0.00000
3
-0.05400
0.00000
0.01964
4
-0.05400
0.00000
-0.01964
5
-0.06400
0.00000
0.04045
6
-0.06400
0.00000
-0.04045
7
0.03433
0.00000
0.03483
8
0.03433
0.00000
-0.03483
9
-0.02590
0.00000
-0.09704
10
-0.02590
0.00000
0.09704
11
0.02224
0.00000
0.02508
12
0.02224
0.00000
-0.02508
13
0.21789
0.00000
0.07102
14
0.21789
0.00000
-0.07102
15
0.04542
0.00000
0.03020
16
0.04542
0.00000
-0.03020
17
0.16995
0.00000
0.27607
18
0.16995
0.00000
-0.27607
19
-0.07832
0.00000
-0.04014
20
-0.07832
0.00000
0.04014