Charge: 2
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+2
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)
-0.18400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00030
-0.00001
2
0.00000
-0.00030
0.00001
3
0.00000
0.00007
-0.00005
4
0.00000
0.00033
-0.00058
5
0.00000
0.00033
0.00058
6
0.00000
0.00007
0.00005
7
0.00000
-0.00002
-0.00001
8
0.00000
-0.00046
0.00002
9
0.00000
-0.00046
-0.00002
10
0.00000
-0.00002
0.00001
11
0.00000
0.00000
-0.00002
12
0.00000
-0.01958
0.03543
13
0.00000
-0.01958
-0.03543
14
0.00000
0.00000
0.00002
15
0.00000
0.00012
-0.00096
16
0.00000
0.00012
0.00096
17
0.00000
-0.00906
-0.00018
18
0.00000
0.03050
-0.00018
19
0.00000
0.03050
0.00018
20
0.00000
-0.00906
0.00018
21
0.00000
0.00116
-0.00111
22
0.00000
-0.01302
0.02133
23
0.00000
-0.01302
-0.02133
24
0.00000
0.00115
0.00110
25
0.00000
-0.00059
0.00001
26
0.00000
-0.00059
-0.00001
27
0.00000
0.00021
-0.00034
28
0.00000
0.00021
0.00034
29
0.00000
0.10390
0.00159
30
0.00000
-0.35763
-0.00092
31
0.00000
-0.35763
0.00092
32
0.00000
0.10387
-0.00159
33
0.00000
-0.01132
0.01830
34
0.00000
0.14909
-0.25865
35
0.00000
0.14909
0.25866
36
0.00000
-0.01130
-0.01828
37
0.00000
-0.00244
0.00416
38
0.00000
0.23853
-0.41450
39
0.00000
0.23852
0.41450
40
0.00000
-0.00244
-0.00415
41
0.00000
0.00665
-0.00012
42
0.00000
0.00665
0.00012