Charge: 0
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
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)
0.00000
Diff mu Z
(Debye)
0.13800
Eigenvectors
#
X
Y
Z
1
0.00000
0.02203
-0.01562
2
0.00000
-0.02203
-0.01562
3
0.00000
0.00553
0.01150
4
0.00000
-0.00362
-0.03616
5
0.00000
0.00362
-0.03616
6
0.00000
-0.00553
0.01150
7
0.00000
0.01620
0.03311
8
0.00000
-0.00981
-0.04937
9
0.00000
0.00981
-0.04937
10
0.00000
-0.01620
0.03311
11
0.00000
-0.00065
0.06937
12
0.00000
0.00007
-0.05971
13
0.00000
-0.00007
-0.05971
14
0.00000
0.00065
0.06937
15
0.00000
0.02770
-0.02900
16
0.00000
-0.02770
-0.02900
17
0.00000
0.03518
-0.02281
18
0.00000
-0.02538
-0.03629
19
0.00000
0.02538
-0.03629
20
0.00000
-0.03518
-0.02281
21
0.00000
0.01999
-0.00508
22
0.00000
-0.01044
-0.04576
23
0.00000
0.01044
-0.04576
24
0.00000
-0.01999
-0.00508
25
0.00000
0.00327
0.08610
26
0.00000
-0.00327
0.08610
27
0.00000
-0.00233
0.09863
28
0.00000
0.00233
0.09863
29
0.00000
0.03438
-0.02354
30
0.00000
-0.02462
-0.02967
31
0.00000
0.02462
-0.02967
32
0.00000
-0.03438
-0.02354
33
0.00000
-0.00113
-0.01643
34
0.00000
-0.00080
-0.04119
35
0.00000
0.00080
-0.04119
36
0.00000
0.00113
-0.01643
37
0.00000
-0.00927
0.09613
38
0.00000
0.00733
-0.05584
39
0.00000
-0.00733
-0.05584
40
0.00000
0.00927
0.09613
41
0.00000
0.00127
0.08339
42
0.00000
-0.00127
0.08339