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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
-0.16000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00897
-0.01115
2
0.00000
-0.00897
-0.01115
3
0.00000
0.06766
-0.01328
4
0.00000
-0.06766
-0.01328
5
0.00000
-0.04765
0.03538
6
0.00000
0.04765
0.03538
7
0.00000
0.01072
0.01727
8
0.00000
-0.01072
0.01727
9
0.00000
0.00030
0.11033
10
0.00000
-0.00030
0.11033
11
0.00000
0.09204
-0.06351
12
0.00000
-0.09204
-0.06351
13
0.00000
-0.04744
-0.04442
14
0.00000
0.04744
-0.04442
15
0.00000
0.01647
-0.02652
16
0.00000
-0.01647
-0.02652
17
0.00000
-0.01262
0.00000
18
0.00000
0.01262
0.00000
19
0.00000
0.00064
-0.00712
20
0.00000
-0.00064
-0.00712
21
0.00000
0.01779
0.06445
22
0.00000
-0.01779
0.06445
23
0.00000
0.10353
-0.05758
24
0.00000
-0.10353
-0.05758
25
0.00000
-0.02592
-0.05497
26
0.00000
0.02592
-0.05497
27
0.00000
0.04677
0.08555
28
0.00000
-0.04677
0.08555
29
0.00000
-0.01269
0.00073
30
0.00000
0.01269
0.00073
31
0.00000
0.01092
-0.00247
32
0.00000
-0.01092
-0.00247