Charge: -1
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-1
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)
0.10300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02585
0.00824
2
0.00000
-0.02585
-0.00824
3
0.00000
-0.00176
0.00535
4
0.00000
-0.00176
-0.00535
5
0.00000
0.02042
0.00646
6
0.00000
0.02042
-0.00646
7
0.00000
-0.03562
0.00509
8
0.00000
-0.03562
-0.00509
9
0.00000
-0.01006
-0.02051
10
0.00000
-0.01006
0.02051
11
0.00000
0.03506
0.05864
12
0.00000
0.03506
-0.05864
13
0.00000
0.01682
-0.06264
14
0.00000
0.01682
0.06264
15
0.00000
-0.05355
0.00098
16
0.00000
-0.05355
-0.00098
17
0.00000
0.05093
0.00910
18
0.00000
0.05093
-0.00910
19
0.00000
-0.02419
-0.00215
20
0.00000
-0.02419
0.00215
21
0.00000
-0.05854
0.06765
22
0.00000
-0.05854
-0.06765
23
0.00000
0.25287
0.19818
24
0.00000
0.25287
-0.19818
25
0.00000
0.26333
-0.20385
26
0.00000
0.26333
0.20385
27
0.00000
-0.01533
-0.01674
28
0.00000
-0.01533
0.01674
29
0.00000
0.05333
0.14480
30
0.00000
0.05333
-0.14480
31
0.00000
-0.16468
-0.08712
32
0.00000
-0.16468
0.08712