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)
-0.23900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08889
0.00000
0.00000
2
0.03848
0.00000
0.00000
3
0.06187
0.00000
0.01032
4
0.06187
0.00000
-0.01032
5
0.01752
0.00000
0.01400
6
0.01752
0.00000
-0.01400
7
0.03982
0.00000
-0.06229
8
0.03982
0.00000
0.06229
9
-0.05721
0.00000
-0.00706
10
-0.05721
0.00000
0.00706
11
-0.03747
0.00000
-0.04055
12
-0.03747
0.00000
0.04055
13
-0.05344
0.00000
0.01335
14
-0.05344
0.00000
-0.01335
15
-0.19079
0.00000
0.32513
16
-0.19079
0.00000
-0.32513
17
0.05163
0.00000
0.21049
18
0.05163
0.00000
-0.21049
19
0.20076
0.00000
0.11866
20
0.20076
0.00000
-0.11866