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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08303
0.00000
0.00000
2
0.08303
0.00000
0.00000
3
0.01720
0.00000
0.00000
4
-0.06117
0.00000
0.00000
5
0.06117
0.00000
0.00000
6
-0.01720
0.00000
0.00000
7
0.08004
0.00000
0.00000
8
-0.08229
0.00000
0.00000
9
0.08229
0.00000
0.00000
10
-0.08004
0.00000
0.00000
11
-0.00804
0.00000
0.00000
12
0.05541
0.00000
0.00000
13
-0.05541
0.00000
0.00000
14
0.00804
0.00000
0.00000
15
-0.03304
0.00000
0.00000
16
0.03304
0.00000
0.00000
17
0.03185
0.00000
0.00000
18
-0.02150
0.00000
0.00000
19
0.02150
0.00000
0.00000
20
-0.03185
0.00000
0.00000
21
-0.03282
0.00000
0.00000
22
0.01992
0.00000
0.00000
23
-0.01992
0.00000
0.00000
24
0.03282
0.00000
0.00000
25
-0.04448
0.00000
0.00000
26
0.04448
0.00000
0.00000
27
0.05248
0.00000
0.00000
28
-0.05248
0.00000
0.00000
29
0.05431
0.00000
0.00000
30
-0.03449
0.00000
0.00000
31
0.03449
0.00000
0.00000
32
-0.05431
0.00000
0.00000
33
-0.12461
0.00000
0.00000
34
0.12539
0.00000
0.00000
35
-0.12539
0.00000
0.00000
36
0.12461
0.00000
0.00000
37
0.11409
0.00000
0.00000
38
0.13146
0.00000
0.00000
39
-0.13146
0.00000
0.00000
40
-0.11409
0.00000
0.00000
41
-0.03948
0.00000
0.00000
42
0.03948
0.00000
0.00000