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)
0.00000
Diff mu Z
(Debye)
0.68600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01316
-0.02549
2
0.00000
0.01316
-0.02549
3
0.00000
-0.02233
-0.00222
4
0.00000
-0.00757
-0.01580
5
0.00000
0.00757
-0.01580
6
0.00000
0.02233
-0.00222
7
0.00000
-0.03235
0.01979
8
0.00000
-0.03430
0.00886
9
0.00000
0.03430
0.00886
10
0.00000
0.03235
0.01979
11
0.00000
-0.01387
0.00243
12
0.00000
-0.01075
0.00306
13
0.00000
0.01075
0.00306
14
0.00000
0.01387
0.00243
15
0.00000
-0.00453
0.02488
16
0.00000
0.00453
0.02488
17
0.00000
0.02125
0.02857
18
0.00000
0.01440
0.04008
19
0.00000
-0.01440
0.04008
20
0.00000
-0.02125
0.02857
21
0.00000
0.00164
-0.05670
22
0.00000
-0.00350
-0.05505
23
0.00000
0.00350
-0.05505
24
0.00000
-0.00164
-0.05670
25
0.00000
0.00814
-0.00029
26
0.00000
-0.00814
-0.00029
27
0.00000
0.02358
-0.00056
28
0.00000
-0.02358
-0.00056
29
0.00000
0.02373
0.28444
30
0.00000
0.01887
0.33018
31
0.00000
-0.01887
0.33018
32
0.00000
-0.02373
0.28444
33
0.00000
-0.14465
-0.14985
34
0.00000
-0.17475
-0.15891
35
0.00000
0.17475
-0.15891
36
0.00000
0.14465
-0.14985
37
0.00000
0.12144
0.05519
38
0.00000
0.04312
0.03659
39
0.00000
-0.04312
0.03659
40
0.00000
-0.12144
0.05519
41
0.00000
0.00593
-0.05883
42
0.00000
-0.00593
-0.05883