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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.03100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00005
-0.00021
2
0.00000
0.00005
0.00022
3
0.00000
0.00003
-0.00003
4
0.00000
0.00004
0.00000
5
0.00000
0.00004
0.00000
6
0.00000
0.00003
0.00003
7
0.00000
0.00005
0.00018
8
0.00000
0.00046
-0.00003
9
0.00000
0.00045
0.00003
10
0.00000
0.00005
-0.00019
11
0.00000
0.00007
-0.00013
12
0.00000
0.00207
-0.00362
13
0.00000
0.00206
0.00361
14
0.00000
0.00007
0.00013
15
0.00000
0.00001
-0.00241
16
0.00000
0.00002
0.00244
17
0.00000
-0.04122
-0.00016
18
0.00000
0.03781
-0.00079
19
0.00000
0.03731
0.00078
20
0.00000
-0.04177
0.00016
21
0.00000
0.00422
-0.00370
22
0.00000
-0.00988
0.01423
23
0.00000
-0.00976
-0.01405
24
0.00000
0.00427
0.00375
25
0.00000
-0.00212
0.00008
26
0.00000
-0.00214
-0.00008
27
0.00000
0.00045
-0.00069
28
0.00000
0.00045
0.00070
29
0.00000
0.46754
0.00215
30
0.00000
-0.43154
0.00155
31
0.00000
-0.42593
-0.00153
32
0.00000
0.47385
-0.00218
33
0.00000
-0.03875
0.05922
34
0.00000
0.10459
-0.17507
35
0.00000
0.10325
0.17283
36
0.00000
-0.03927
-0.06001
37
0.00000
-0.00513
0.00852
38
0.00000
-0.02518
0.04176
39
0.00000
-0.02509
-0.04162
40
0.00000
-0.00517
-0.00859
41
0.00000
0.02350
-0.00071
42
0.00000
0.02380
0.00072