Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.14700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01688
0.01129
2
0.00000
-0.01688
-0.01129
3
0.00000
0.07166
-0.03176
4
0.00000
-0.01609
-0.01175
5
0.00000
-0.01609
0.01175
6
0.00000
0.07166
0.03176
7
0.00000
0.03586
-0.08050
8
0.00000
0.01367
-0.01808
9
0.00000
0.01367
0.01808
10
0.00000
0.03586
0.08050
11
0.00000
-0.05596
-0.02840
12
0.00000
0.03342
-0.01782
13
0.00000
0.03342
0.01782
14
0.00000
-0.05596
0.02840
15
0.00000
-0.05111
0.02415
16
0.00000
-0.05111
-0.02415
17
0.00000
-0.06998
0.01097
18
0.00000
-0.02313
-0.01451
19
0.00000
-0.02313
0.01451
20
0.00000
-0.06998
-0.01097
21
0.00000
0.04123
-0.06374
22
0.00000
0.01341
-0.03216
23
0.00000
0.01341
0.03216
24
0.00000
0.04123
0.06374
25
0.00000
-0.02102
0.00184
26
0.00000
-0.02102
-0.00184
27
0.00000
0.03666
-0.01464
28
0.00000
0.03666
0.01464
29
0.00000
-0.06890
0.07022
30
0.00000
-0.02336
0.02553
31
0.00000
-0.02336
-0.02553
32
0.00000
-0.06890
-0.07022
33
0.00000
0.12739
-0.01011
34
0.00000
0.01995
-0.02811
35
0.00000
0.01995
0.02811
36
0.00000
0.12739
0.01011
37
0.00000
0.04130
-0.01082
38
0.00000
0.02300
-0.02373
39
0.00000
0.02300
0.02373
40
0.00000
0.04130
0.01082
41
0.00000
-0.02103
0.07370
42
0.00000
-0.02103
-0.07370