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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-0.29600
Eigenvectors
#
X
Y
Z
1
0.00000
0.04852
0.03082
2
0.00000
-0.04853
0.03082
3
0.00000
0.00641
0.03845
4
0.00000
-0.01933
0.01714
5
0.00000
0.01933
0.01715
6
0.00000
-0.00641
0.03845
7
0.00000
-0.01214
0.01043
8
0.00000
-0.06119
-0.00232
9
0.00000
0.06119
-0.00231
10
0.00000
0.01214
0.01043
11
0.00000
-0.00041
-0.01624
12
0.00000
-0.00606
-0.03267
13
0.00000
0.00606
-0.03267
14
0.00000
0.00041
-0.01624
15
0.00000
0.07291
0.02008
16
0.00000
-0.07291
0.02008
17
0.00000
0.02950
-0.00925
18
0.00000
-0.10653
0.01445
19
0.00000
0.10652
0.01445
20
0.00000
-0.02950
-0.00925
21
0.00000
-0.01307
0.00690
22
0.00000
-0.08440
0.00801
23
0.00000
0.08440
0.00801
24
0.00000
0.01307
0.00690
25
0.00000
-0.00722
-0.03201
26
0.00000
0.00722
-0.03201
27
0.00000
0.00009
-0.04394
28
0.00000
-0.00009
-0.04394
29
0.00000
0.03032
-0.05647
30
0.00000
-0.10760
0.01029
31
0.00000
0.10760
0.01028
32
0.00000
-0.03032
-0.05647
33
0.00000
-0.03054
-0.00492
34
0.00000
-0.06840
0.01874
35
0.00000
0.06841
0.01874
36
0.00000
0.03054
-0.00492
37
0.00000
0.00806
-0.03977
38
0.00000
0.03023
-0.01062
39
0.00000
-0.03023
-0.01061
40
0.00000
-0.00806
-0.03977
41
0.00000
-0.00648
-0.03453
42
0.00000
0.00648
-0.03453