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)
-1.92900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00028
0.01993
2
0.00000
0.00028
0.01993
3
0.00000
0.04770
-0.00545
4
0.00000
-0.00175
-0.01045
5
0.00000
0.00175
-0.01045
6
0.00000
-0.04770
-0.00545
7
0.00000
0.09978
0.04542
8
0.00000
-0.02622
-0.03291
9
0.00000
0.02622
-0.03291
10
0.00000
-0.09978
0.04542
11
0.00000
0.02041
-0.08930
12
0.00000
-0.00438
0.02031
13
0.00000
0.00438
0.02031
14
0.00000
-0.02041
-0.08930
15
0.00000
-0.00163
-0.00331
16
0.00000
0.00163
-0.00331
17
0.00000
-0.01510
0.00080
18
0.00000
0.01658
0.00334
19
0.00000
-0.01658
0.00334
20
0.00000
0.01510
0.00080
21
0.00000
-0.03402
0.01197
22
0.00000
-0.00580
-0.00353
23
0.00000
0.00580
-0.00353
24
0.00000
0.03402
0.01197
25
0.00000
-0.01741
0.02125
26
0.00000
0.01741
0.02125
27
0.00000
-0.01014
0.00312
28
0.00000
0.01014
0.00312
29
0.00000
-0.01769
-0.02650
30
0.00000
0.01771
0.01912
31
0.00000
-0.01771
0.01912
32
0.00000
0.01769
-0.02650
33
0.00000
-0.27284
-0.12844
34
0.00000
0.06235
0.03220
35
0.00000
-0.06235
0.03220
36
0.00000
0.27284
-0.12844
37
0.00000
0.03629
0.03350
38
0.00000
0.08442
0.07630
39
0.00000
-0.08442
0.07630
40
0.00000
-0.03629
0.03350
41
0.00000
-0.01915
0.21771
42
0.00000
0.01915
0.21771