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)
-0.54100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04595
0.03729
2
0.00000
-0.04595
-0.03729
3
0.00000
0.01896
-0.06866
4
0.00000
0.03376
-0.01074
5
0.00000
0.03376
0.01074
6
0.00000
0.01896
0.06866
7
0.00000
-0.03588
0.05531
8
0.00000
-0.05742
0.02935
9
0.00000
-0.05742
-0.02935
10
0.00000
-0.03588
-0.05531
11
0.00000
0.01031
-0.03224
12
0.00000
0.01641
-0.00148
13
0.00000
0.01641
0.00148
14
0.00000
0.01031
0.03224
15
0.00000
0.05178
-0.00717
16
0.00000
0.05178
0.00717
17
0.00000
-0.00036
0.07860
18
0.00000
-0.01174
0.06451
19
0.00000
-0.01174
-0.06451
20
0.00000
-0.00036
-0.07860
21
0.00000
0.00119
-0.05222
22
0.00000
0.02685
-0.03069
23
0.00000
0.02685
0.03069
24
0.00000
0.00119
0.05222
25
0.00000
-0.00672
0.01489
26
0.00000
-0.00672
-0.01489
27
0.00000
0.00420
-0.00069
28
0.00000
0.00420
0.00069
29
0.00000
0.00342
-0.13809
30
0.00000
-0.00999
-0.11309
31
0.00000
-0.00999
0.11309
32
0.00000
0.00342
0.13809
33
0.00000
0.05688
-0.02464
34
0.00000
-0.01354
-0.06010
35
0.00000
-0.01354
0.06010
36
0.00000
0.05688
0.02464
37
0.00000
-0.02325
-0.01725
38
0.00000
-0.06808
-0.04787
39
0.00000
-0.06808
0.04787
40
0.00000
-0.02325
0.01725
41
0.00000
-0.00977
-0.02188
42
0.00000
-0.00977
0.02188