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)
1.26100
Eigenvectors
#
X
Y
Z
1
0.00000
0.01712
-0.04270
2
0.00000
-0.01712
-0.04270
3
0.00000
0.00222
0.03172
4
0.00000
-0.00557
-0.09034
5
0.00000
0.00557
-0.09034
6
0.00000
-0.00222
0.03172
7
0.00000
0.02476
0.07639
8
0.00000
-0.00114
-0.02344
9
0.00000
0.00114
-0.02344
10
0.00000
-0.02476
0.07639
11
0.00000
0.03531
0.05839
12
0.00000
-0.00889
0.05546
13
0.00000
0.00889
0.05546
14
0.00000
-0.03531
0.05839
15
0.00000
-0.02322
-0.00314
16
0.00000
0.02322
-0.00314
17
0.00000
-0.05495
-0.00829
18
0.00000
-0.00368
-0.00112
19
0.00000
0.00368
-0.00112
20
0.00000
0.05495
-0.00829
21
0.00000
0.01406
-0.02202
22
0.00000
-0.03837
0.03896
23
0.00000
0.03837
0.03896
24
0.00000
-0.01406
-0.02202
25
0.00000
0.05524
-0.01516
26
0.00000
-0.05524
-0.01516
27
0.00000
0.01942
-0.04203
28
0.00000
-0.01942
-0.04203
29
0.00000
-0.05583
0.03375
30
0.00000
-0.00493
-0.09622
31
0.00000
0.00493
-0.09622
32
0.00000
0.05583
0.03375
33
0.00000
-0.01583
-0.03833
34
0.00000
-0.03468
0.04042
35
0.00000
0.03468
0.04042
36
0.00000
0.01583
-0.03833
37
0.00000
0.00592
-0.05506
38
0.00000
-0.06806
0.02244
39
0.00000
0.06806
0.02244
40
0.00000
-0.00592
-0.05506
41
0.00000
0.05948
-0.05776
42
0.00000
-0.05948
-0.05776