Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.57000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03626
-0.03314
2
0.00000
-0.03627
0.03314
3
0.00000
0.01760
0.01652
4
0.00000
0.01796
0.00918
5
0.00000
0.01796
-0.00918
6
0.00000
0.01760
-0.01652
7
0.00000
0.03474
0.03692
8
0.00000
-0.04095
-0.02556
9
0.00000
-0.04095
0.02556
10
0.00000
0.03474
-0.03692
11
0.00000
-0.07697
0.01231
12
0.00000
-0.00093
-0.00850
13
0.00000
-0.00093
0.00850
14
0.00000
-0.07697
-0.01231
15
0.00000
-0.01737
-0.01134
16
0.00000
-0.01737
0.01134
17
0.00000
-0.01362
-0.00232
18
0.00000
0.02429
-0.00728
19
0.00000
0.02429
0.00728
20
0.00000
-0.01362
0.00232
21
0.00000
0.01825
0.02387
22
0.00000
0.00082
-0.00615
23
0.00000
0.00082
0.00615
24
0.00000
0.01825
-0.02387
25
0.00000
0.02606
-0.04204
26
0.00000
0.02606
0.04204
27
0.00000
0.00687
0.01534
28
0.00000
0.00687
-0.01534
29
0.00000
-0.01487
-0.25458
30
0.00000
0.02630
-0.02899
31
0.00000
0.02630
0.02899
32
0.00000
-0.01487
0.25458
33
0.00000
0.04449
0.04111
34
0.00000
0.10920
0.05112
35
0.00000
0.10920
-0.05112
36
0.00000
0.04449
-0.04111
37
0.00000
0.13015
0.08653
38
0.00000
0.14903
0.08010
39
0.00000
0.14903
-0.08010
40
0.00000
0.13015
-0.08652
41
0.00000
0.02621
-0.35606
42
0.00000
0.02621
0.35606