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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00593
0.00000
0.00000
2
-0.00593
0.00000
0.00000
3
0.01614
0.00000
0.00000
4
0.02579
0.00000
0.00000
5
-0.02579
0.00000
0.00000
6
-0.01614
0.00000
0.00000
7
-0.05519
0.00000
0.00000
8
-0.05478
0.00000
0.00000
9
0.05478
0.00000
0.00000
10
0.05519
0.00000
0.00000
11
0.04411
0.00000
0.00000
12
0.01471
0.00000
0.00000
13
-0.01471
0.00000
0.00000
14
-0.04411
0.00000
0.00000
15
-0.00680
0.00000
0.00000
16
0.00680
0.00000
0.00000
17
0.04230
0.00000
0.00000
18
0.03686
0.00000
0.00000
19
-0.03686
0.00000
0.00000
20
-0.04230
0.00000
0.00000
21
0.04306
0.00000
0.00000
22
0.03912
0.00000
0.00000
23
-0.03912
0.00000
0.00000
24
-0.04306
0.00000
0.00000
25
0.00447
0.00000
0.00000
26
-0.00447
0.00000
0.00000
27
0.01350
0.00000
0.00000
28
-0.01350
0.00000
0.00000
29
-0.30505
0.00000
0.00000
30
-0.30230
0.00000
0.00000
31
0.30230
0.00000
0.00000
32
0.30505
0.00000
0.00000
33
-0.24030
0.00000
0.00000
34
-0.20456
0.00000
0.00000
35
0.20456
0.00000
0.00000
36
0.24030
0.00000
0.00000
37
-0.02862
0.00000
0.00000
38
0.07920
0.00000
0.00000
39
-0.07920
0.00000
0.00000
40
0.02862
0.00000
0.00000
41
-0.12274
0.00000
0.00000
42
0.12274
0.00000
0.00000