Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
0.92600
Eigenvectors
#
X
Y
Z
1
0.00000
0.01077
0.04107
2
0.00000
-0.01077
0.04107
3
0.00000
0.00912
-0.01845
4
0.00000
-0.00912
-0.01845
5
0.00000
-0.00927
-0.01354
6
0.00000
0.00927
-0.01354
7
0.00000
-0.01594
0.00800
8
0.00000
0.01594
0.00800
9
0.00000
-0.01313
0.00526
10
0.00000
0.01313
0.00526
11
0.00000
0.01120
0.01630
12
0.00000
-0.01120
0.01630
13
0.00000
-0.01027
0.00330
14
0.00000
0.01027
0.00330
15
0.00000
-0.00048
-0.02705
16
0.00000
0.00048
-0.02705
17
0.00000
-0.00226
0.00030
18
0.00000
0.00226
0.00030
19
0.00000
-0.01163
-0.00603
20
0.00000
0.01163
-0.00603
21
0.00000
0.00092
-0.43912
22
0.00000
-0.00092
-0.43912
23
0.00000
0.23145
0.15290
24
0.00000
-0.23145
0.15290
25
0.00000
-0.21894
0.11878
26
0.00000
0.21894
0.11878
27
0.00000
-0.00688
0.00140
28
0.00000
0.00688
0.00140
29
0.00000
-0.00007
0.19438
30
0.00000
0.00007
0.19438
31
0.00000
-0.23409
-0.13760
32
0.00000
0.23409
-0.13760