Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.34100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08141
0.00000
0.00000
2
0.03637
0.00000
0.00000
3
0.04335
0.00000
0.06556
4
0.04335
0.00000
-0.06556
5
-0.00010
0.00000
-0.07009
6
-0.00010
0.00000
0.07009
7
0.02424
0.00000
-0.03518
8
0.02424
0.00000
0.03518
9
-0.01197
0.00000
-0.05677
10
-0.01197
0.00000
0.05677
11
-0.10062
0.00000
-0.06168
12
-0.10062
0.00000
0.06168
13
-0.01971
0.00000
-0.07090
14
-0.01971
0.00000
0.07090
15
0.07187
0.00000
-0.11543
16
0.07187
0.00000
0.11543
17
-0.00738
0.00000
-0.05028
18
-0.00738
0.00000
0.05028
19
-0.20897
0.00000
-0.13751
20
-0.20897
0.00000
0.13751