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)
-0.42400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03358
-0.03907
2
0.00000
-0.03358
0.03907
3
0.00000
0.02897
0.00450
4
0.00000
0.01129
0.00789
5
0.00000
0.01129
-0.00789
6
0.00000
0.02897
-0.00450
7
0.00000
0.02055
0.05000
8
0.00000
-0.03619
-0.03369
9
0.00000
-0.03619
0.03369
10
0.00000
0.02055
-0.05000
11
0.00000
-0.07574
0.01282
12
0.00000
-0.00022
-0.00204
13
0.00000
-0.00022
0.00204
14
0.00000
-0.07574
-0.01282
15
0.00000
-0.02268
-0.02432
16
0.00000
-0.02268
0.02432
17
0.00000
-0.02064
-0.00995
18
0.00000
0.02907
-0.00613
19
0.00000
0.02907
0.00613
20
0.00000
-0.02064
0.00995
21
0.00000
0.02620
0.03185
22
0.00000
0.00015
-0.00779
23
0.00000
0.00015
0.00779
24
0.00000
0.02620
-0.03185
25
0.00000
0.02876
-0.04380
26
0.00000
0.02876
0.04380
27
0.00000
0.00701
0.01648
28
0.00000
0.00701
-0.01648
29
0.00000
-0.02264
-0.21308
30
0.00000
0.03354
-0.08045
31
0.00000
0.03354
0.08045
32
0.00000
-0.02264
0.21308
33
0.00000
0.05748
0.05054
34
0.00000
0.10480
0.04912
35
0.00000
0.10480
-0.04912
36
0.00000
0.05748
-0.05054
37
0.00000
0.10300
0.07387
38
0.00000
0.13757
0.08146
39
0.00000
0.13757
-0.08146
40
0.00000
0.10300
-0.07387
41
0.00000
0.02739
-0.33948
42
0.00000
0.02739
0.33948