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)
1.11100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00029
-0.00006
2
0.00000
-0.00029
0.00006
3
0.00000
-0.00017
-0.00023
4
0.00000
-0.00038
0.00006
5
0.00000
-0.00038
-0.00006
6
0.00000
-0.00017
0.00023
7
0.00000
0.00096
-0.00012
8
0.00000
0.00053
0.00063
9
0.00000
0.00053
-0.00063
10
0.00000
0.00096
0.00012
11
0.00000
-0.00022
0.00064
12
0.00000
-0.00883
0.01312
13
0.00000
-0.00883
-0.01312
14
0.00000
-0.00022
-0.00064
15
0.00000
-0.00006
0.00015
16
0.00000
-0.00006
-0.00015
17
0.00000
-0.02574
-0.00140
18
0.00000
-0.03246
-0.00112
19
0.00000
-0.03246
0.00112
20
0.00000
-0.02574
0.00140
21
0.00000
-0.00706
0.01170
22
0.00000
-0.01215
0.02259
23
0.00000
-0.01215
-0.02259
24
0.00000
-0.00706
-0.01170
25
0.00000
0.02092
-0.00010
26
0.00000
0.02092
0.00010
27
0.00000
0.00127
-0.00381
28
0.00000
0.00127
0.00381
29
0.00000
0.30599
0.00062
30
0.00000
0.38552
0.00132
31
0.00000
0.38552
-0.00132
32
0.00000
0.30599
-0.00062
33
0.00000
0.07865
-0.12861
34
0.00000
0.15112
-0.26346
35
0.00000
0.15112
0.26346
36
0.00000
0.07865
0.12861
37
0.00000
-0.01925
0.03459
38
0.00000
0.09959
-0.17115
39
0.00000
0.09959
0.17115
40
0.00000
-0.01925
-0.03459
41
0.00000
-0.24321
0.00384
42
0.00000
-0.24321
-0.00384