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)
0.00000
Diff mu Z
(Debye)
0.04200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00064
-0.00005
2
0.00000
-0.00064
-0.00006
3
0.00000
0.00005
0.00003
4
0.00000
0.00008
-0.00003
5
0.00000
-0.00008
-0.00003
6
0.00000
-0.00005
0.00003
7
0.00000
0.00006
0.00015
8
0.00000
0.00057
0.00002
9
0.00000
-0.00057
0.00002
10
0.00000
-0.00006
0.00016
11
0.00000
-0.00001
-0.00009
12
0.00000
0.00086
-0.00135
13
0.00000
-0.00084
-0.00132
14
0.00000
0.00001
-0.00009
15
0.00000
0.00091
-0.00017
16
0.00000
-0.00092
-0.00018
17
0.00000
-0.04045
-0.00029
18
0.00000
0.03762
-0.00066
19
0.00000
-0.03746
-0.00066
20
0.00000
0.04064
-0.00029
21
0.00000
0.00439
-0.00392
22
0.00000
-0.01116
0.01621
23
0.00000
0.01111
0.01614
24
0.00000
-0.00441
-0.00394
25
0.00000
-0.00218
0.00007
26
0.00000
0.00219
0.00007
27
0.00000
0.00026
-0.00044
28
0.00000
-0.00027
-0.00044
29
0.00000
0.45945
-0.00018
30
0.00000
-0.43033
0.00412
31
0.00000
0.42850
0.00410
32
0.00000
-0.46158
-0.00018
33
0.00000
-0.03959
0.06016
34
0.00000
0.11743
-0.19611
35
0.00000
-0.11690
-0.19523
36
0.00000
0.03977
0.06044
37
0.00000
-0.00320
0.00526
38
0.00000
-0.00922
0.01449
39
0.00000
0.00904
0.01418
40
0.00000
0.00323
0.00531
41
0.00000
0.02439
-0.00070
42
0.00000
-0.02451
-0.00070