Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.77500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00008
2
0.00000
0.00000
0.00008
3
0.00000
-0.00005
-0.00010
4
0.00000
-0.00036
0.00020
5
0.00000
-0.00036
-0.00020
6
0.00000
-0.00005
0.00010
7
0.00000
-0.00023
0.00001
8
0.00000
-0.00165
-0.00080
9
0.00000
-0.00165
0.00080
10
0.00000
-0.00023
-0.00001
11
0.00000
0.00012
-0.00021
12
0.00000
-0.01912
0.03343
13
0.00000
-0.01912
-0.03343
14
0.00000
0.00012
0.00021
15
0.00000
-0.00013
-0.00221
16
0.00000
-0.00013
0.00221
17
0.00000
-0.02384
0.00014
18
0.00000
0.03381
0.00097
19
0.00000
0.03381
-0.00097
20
0.00000
-0.02384
-0.00014
21
0.00000
0.00514
-0.00651
22
0.00000
0.00545
-0.01150
23
0.00000
0.00545
0.01150
24
0.00000
0.00514
0.00651
25
0.00000
-0.00412
0.00018
26
0.00000
-0.00412
-0.00018
27
0.00000
0.00131
-0.00219
28
0.00000
0.00131
0.00219
29
0.00000
0.27525
-0.00002
30
0.00000
-0.37818
-0.00196
31
0.00000
-0.37818
0.00196
32
0.00000
0.27525
0.00002
33
0.00000
-0.05262
0.08519
34
0.00000
-0.06219
0.11189
35
0.00000
-0.06219
-0.11189
36
0.00000
-0.05262
-0.08519
37
0.00000
-0.01553
0.02663
38
0.00000
0.23014
-0.39197
39
0.00000
0.23014
0.39197
40
0.00000
-0.01553
-0.02663
41
0.00000
0.04664
-0.00151
42
0.00000
0.04664
0.00151