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)
0.24300
Eigenvectors
#
X
Y
Z
1
0.00000
0.02690
-0.02710
2
0.00000
-0.02690
-0.02710
3
0.00000
0.01533
-0.02784
4
0.00000
0.00121
-0.05538
5
0.00000
-0.00121
-0.05538
6
0.00000
-0.01533
-0.02784
7
0.00000
0.04847
-0.00857
8
0.00000
0.02695
-0.04624
9
0.00000
-0.02695
-0.04624
10
0.00000
-0.04847
-0.00857
11
0.00000
0.01106
-0.00621
12
0.00000
0.00694
-0.05014
13
0.00000
-0.00694
-0.05014
14
0.00000
-0.01106
-0.00621
15
0.00000
0.03736
0.04126
16
0.00000
-0.03736
0.04126
17
0.00000
0.06191
0.05707
18
0.00000
-0.00700
0.06638
19
0.00000
0.00700
0.06638
20
0.00000
-0.06191
0.05707
21
0.00000
0.06699
0.04278
22
0.00000
0.03828
0.03315
23
0.00000
-0.03828
0.03315
24
0.00000
-0.06699
0.04278
25
0.00000
-0.00256
-0.01493
26
0.00000
0.00256
-0.01494
27
0.00000
-0.00080
-0.02101
28
0.00000
0.00080
-0.02101
29
0.00000
0.06234
0.06854
30
0.00000
-0.00697
0.10174
31
0.00000
0.00697
0.10174
32
0.00000
-0.06234
0.06854
33
0.00000
0.08656
0.05219
34
0.00000
0.09631
0.06533
35
0.00000
-0.09631
0.06533
36
0.00000
-0.08656
0.05219
37
0.00000
0.00220
-0.01949
38
0.00000
-0.00582
-0.05867
39
0.00000
0.00582
-0.05867
40
0.00000
-0.00219
-0.01949
41
0.00000
-0.00086
-0.00988
42
0.00000
0.00086
-0.00988