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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.27200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00026
0.00006
2
0.00000
0.00026
0.00006
3
0.00000
0.00004
0.00000
4
0.00000
-0.00010
0.00024
5
0.00000
0.00010
0.00024
6
0.00000
-0.00004
0.00000
7
0.00000
0.00000
-0.00005
8
0.00000
-0.00080
-0.00063
9
0.00000
0.00080
-0.00063
10
0.00000
0.00000
-0.00005
11
0.00000
0.00000
-0.00001
12
0.00000
-0.00242
0.00341
13
0.00000
0.00242
0.00341
14
0.00000
0.00000
-0.00001
15
0.00000
0.00015
-0.00128
16
0.00000
-0.00015
-0.00128
17
0.00000
-0.01046
-0.00019
18
0.00000
-0.04022
0.00062
19
0.00000
0.04022
0.00062
20
0.00000
0.01046
-0.00019
21
0.00000
0.00130
-0.00126
22
0.00000
0.01994
-0.03359
23
0.00000
-0.01994
-0.03359
24
0.00000
-0.00130
-0.00126
25
0.00000
-0.00063
0.00000
26
0.00000
0.00063
0.00000
27
0.00000
0.00013
-0.00019
28
0.00000
-0.00013
-0.00019
29
0.00000
0.11979
0.00207
30
0.00000
0.47532
0.00115
31
0.00000
-0.47532
0.00115
32
0.00000
-0.11983
0.00207
33
0.00000
-0.01303
0.02106
34
0.00000
-0.22860
0.40235
35
0.00000
0.22860
0.40236
36
0.00000
0.01303
0.02106
37
0.00000
-0.00145
0.00245
38
0.00000
0.02376
-0.03761
39
0.00000
-0.02377
-0.03763
40
0.00000
0.00144
0.00245
41
0.00000
0.00716
-0.00014
42
0.00000
-0.00716
-0.00014