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)
0.74400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02048
-0.00208
2
0.00000
0.02048
-0.00208
3
0.00000
0.04104
-0.01493
4
0.00000
-0.04180
-0.00692
5
0.00000
0.04180
-0.00692
6
0.00000
-0.04104
-0.01493
7
0.00000
0.00908
0.03271
8
0.00000
0.03937
0.01937
9
0.00000
-0.03937
0.01937
10
0.00000
-0.00908
0.03271
11
0.00000
0.01488
0.01229
12
0.00000
0.04804
0.00002
13
0.00000
-0.04804
0.00002
14
0.00000
-0.01488
0.01229
15
0.00000
-0.00204
0.03817
16
0.00000
0.00204
0.03817
17
0.00000
0.04019
0.02501
18
0.00000
0.01830
-0.02994
19
0.00000
-0.01830
-0.02994
20
0.00000
-0.04019
0.02501
21
0.00000
-0.07587
-0.06177
22
0.00000
-0.05905
-0.02245
23
0.00000
0.05905
-0.02245
24
0.00000
0.07587
-0.06177
25
0.00000
0.00798
-0.02976
26
0.00000
-0.00798
-0.02976
27
0.00000
-0.04035
0.00130
28
0.00000
0.04035
0.00130
29
0.00000
0.04686
0.02380
30
0.00000
0.02300
0.11196
31
0.00000
-0.02300
0.11196
32
0.00000
-0.04686
0.02380
33
0.00000
0.21432
0.11256
34
0.00000
0.14580
0.09691
35
0.00000
-0.14580
0.09691
36
0.00000
-0.21432
0.11256
37
0.00000
0.06184
0.06667
38
0.00000
-0.02554
-0.05147
39
0.00000
0.02554
-0.05147
40
0.00000
-0.06184
0.06667
41
0.00000
0.01069
0.10363
42
0.00000
-0.01069
0.10363