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)
-0.09700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05864
-0.00095
2
0.00000
0.05864
-0.00095
3
0.00000
-0.00033
-0.04006
4
0.00000
-0.00110
0.03345
5
0.00000
0.00110
0.03345
6
0.00000
0.00033
-0.04006
7
0.00000
0.05033
-0.01553
8
0.00000
-0.06625
0.00491
9
0.00000
0.06625
0.00491
10
0.00000
-0.05033
-0.01553
11
0.00000
0.00896
0.00353
12
0.00000
-0.00628
-0.03548
13
0.00000
0.00628
-0.03548
14
0.00000
-0.00896
0.00353
15
0.00000
-0.07060
0.01183
16
0.00000
0.07060
0.01183
17
0.00000
-0.01610
0.05790
18
0.00000
-0.00627
-0.03976
19
0.00000
0.00627
-0.03976
20
0.00000
0.01610
0.05790
21
0.00000
0.06085
0.02091
22
0.00000
-0.08070
-0.00632
23
0.00000
0.08070
-0.00632
24
0.00000
-0.06085
0.02091
25
0.00000
0.00030
0.00218
26
0.00000
-0.00030
0.00218
27
0.00000
0.00012
0.00099
28
0.00000
-0.00012
0.00099
29
0.00000
-0.01587
0.14399
30
0.00000
-0.00628
-0.13892
31
0.00000
0.00628
-0.13892
32
0.00000
0.01587
0.14399
33
0.00000
0.10647
0.04802
34
0.00000
-0.11636
-0.02727
35
0.00000
0.11636
-0.02727
36
0.00000
-0.10647
0.04802
37
0.00000
-0.00020
0.00061
38
0.00000
0.03793
-0.00852
39
0.00000
-0.03793
-0.00852
40
0.00000
0.00020
0.00061
41
0.00000
0.00128
0.01066
42
0.00000
-0.00128
0.01066