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)
0.00000
Diff mu Z
(Debye)
-0.23800
Eigenvectors
#
X
Y
Z
1
0.00000
0.03048
0.02988
2
0.00000
-0.03048
0.02988
3
0.00000
-0.07068
-0.03803
4
0.00000
0.06779
-0.00665
5
0.00000
-0.06779
-0.00665
6
0.00000
0.07068
-0.03803
7
0.00000
0.00273
0.02803
8
0.00000
0.03473
0.02029
9
0.00000
-0.03473
0.02029
10
0.00000
-0.00273
0.02803
11
0.00000
-0.03518
-0.01600
12
0.00000
-0.05079
-0.01060
13
0.00000
0.05079
-0.01060
14
0.00000
0.03518
-0.01600
15
0.00000
0.03359
-0.02413
16
0.00000
-0.03359
-0.02413
17
0.00000
-0.01389
0.05343
18
0.00000
0.03804
0.00689
19
0.00000
-0.03804
0.00689
20
0.00000
0.01389
0.05343
21
0.00000
0.01189
-0.02486
22
0.00000
-0.07501
-0.03097
23
0.00000
0.07501
-0.03097
24
0.00000
-0.01189
-0.02486
25
0.00000
0.00847
0.03500
26
0.00000
-0.00847
0.03500
27
0.00000
0.00112
-0.01383
28
0.00000
-0.00112
-0.01383
29
0.00000
-0.01265
-0.11400
30
0.00000
0.03939
0.02413
31
0.00000
-0.03939
0.02413
32
0.00000
0.01265
-0.11400
33
0.00000
-0.00507
-0.03658
34
0.00000
0.18632
0.11689
35
0.00000
-0.18632
0.11689
36
0.00000
0.00507
-0.03658
37
0.00000
-0.01658
-0.02748
38
0.00000
0.05017
0.05079
39
0.00000
-0.05017
0.05079
40
0.00000
0.01658
-0.02748
41
0.00000
0.00629
-0.11433
42
0.00000
-0.00629
-0.11433