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)
0.65500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00039
-0.00056
2
0.00000
0.00039
-0.00056
3
0.00000
-0.00006
-0.00038
4
0.00000
0.00012
-0.00026
5
0.00000
-0.00012
-0.00026
6
0.00000
0.00006
-0.00038
7
0.00000
0.00049
0.00048
8
0.00000
-0.00034
-0.00004
9
0.00000
0.00034
-0.00004
10
0.00000
-0.00049
0.00048
11
0.00000
-0.00014
0.00054
12
0.00000
0.01031
-0.01523
13
0.00000
-0.01031
-0.01523
14
0.00000
0.00014
0.00054
15
0.00000
-0.00020
0.00035
16
0.00000
0.00020
0.00035
17
0.00000
-0.02033
-0.00076
18
0.00000
0.03430
0.00133
19
0.00000
-0.03430
0.00133
20
0.00000
0.02033
-0.00076
21
0.00000
-0.00291
0.00373
22
0.00000
0.01255
-0.02427
23
0.00000
-0.01255
-0.02427
24
0.00000
0.00291
0.00373
25
0.00000
0.01601
-0.00030
26
0.00000
-0.01601
-0.00030
27
0.00000
-0.01133
0.01821
28
0.00000
0.01133
0.01821
29
0.00000
0.23623
-0.00004
30
0.00000
-0.39664
-0.00080
31
0.00000
0.39664
-0.00080
32
0.00000
-0.23623
-0.00004
33
0.00000
0.02234
-0.03466
34
0.00000
-0.15421
0.27043
35
0.00000
0.15421
0.27043
36
0.00000
-0.02234
-0.03466
37
0.00000
0.12689
-0.21298
38
0.00000
-0.10458
0.17925
39
0.00000
0.10458
0.17925
40
0.00000
-0.12689
-0.21298
41
0.00000
-0.19785
0.00301
42
0.00000
0.19785
0.00301