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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00927
-0.00001
0.00000
2
0.00927
-0.00001
0.00000
3
-0.02520
-0.00001
0.00000
4
-0.05086
-0.00001
0.00000
5
0.05086
-0.00001
0.00000
6
0.02520
-0.00001
0.00000
7
0.05902
0.00000
0.00000
8
0.07618
0.00000
0.00000
9
-0.07618
0.00000
0.00000
10
-0.05902
0.00000
0.00000
11
-0.04917
0.00000
0.00000
12
-0.01884
0.00000
0.00000
13
0.01884
0.00000
0.00000
14
0.04917
0.00000
0.00000
15
0.00229
0.00000
0.00000
16
-0.00229
0.00000
0.00000
17
-0.02716
0.00001
0.00000
18
-0.02783
0.00001
0.00000
19
0.02783
0.00001
0.00000
20
0.02716
0.00001
0.00000
21
-0.03826
0.00000
0.00000
22
-0.04798
0.00000
0.00000
23
0.04798
0.00000
0.00000
24
0.03826
0.00000
0.00000
25
-0.00481
0.00000
0.00000
26
0.00481
0.00000
0.00000
27
-0.02382
0.00000
0.00000
28
0.02382
0.00000
0.00000
29
0.25106
0.00001
0.00000
30
0.28764
0.00001
0.00000
31
-0.28764
0.00001
0.00000
32
-0.25106
0.00001
0.00000
33
0.15808
0.00000
-0.00001
34
0.18418
0.00000
-0.00001
35
-0.18418
0.00000
0.00001
36
-0.15808
0.00000
0.00001
37
0.04572
0.00000
0.00000
38
-0.10304
0.00000
0.00000
39
0.10304
0.00000
0.00000
40
-0.04572
0.00000
0.00000
41
0.16064
0.00000
0.00000
42
-0.16064
0.00000
0.00000