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)
1.02800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06543
0.00831
2
0.00000
-0.06543
-0.00831
3
0.00000
-0.09019
0.01109
4
0.00000
-0.06437
-0.00972
5
0.00000
-0.06437
0.00972
6
0.00000
-0.09019
-0.01109
7
0.00000
0.00295
-0.00007
8
0.00000
0.01988
0.01741
9
0.00000
0.01988
-0.01741
10
0.00000
0.00295
0.00007
11
0.00000
-0.00355
0.01854
12
0.00000
-0.01421
0.01896
13
0.00000
-0.01421
-0.01896
14
0.00000
-0.00355
-0.01853
15
0.00000
-0.00062
0.02334
16
0.00000
-0.00062
-0.02335
17
0.00000
0.04197
-0.04026
18
0.00000
0.06522
-0.02206
19
0.00000
0.06522
0.02206
20
0.00000
0.04197
0.04026
21
0.00000
0.06303
-0.04795
22
0.00000
0.04322
-0.06480
23
0.00000
0.04322
0.06480
24
0.00000
0.06303
0.04795
25
0.00000
-0.01134
-0.00356
26
0.00000
-0.01134
0.00356
27
0.00000
0.00258
0.00417
28
0.00000
0.00258
-0.00417
29
0.00000
0.04510
-0.01203
30
0.00000
0.06893
0.01507
31
0.00000
0.06893
-0.01507
32
0.00000
0.04510
0.01203
33
0.00000
0.03755
-0.06755
34
0.00000
-0.00765
-0.09951
35
0.00000
-0.00765
0.09951
36
0.00000
0.03755
0.06755
37
0.00000
0.01085
0.00978
38
0.00000
-0.01323
0.01917
39
0.00000
-0.01323
-0.01917
40
0.00000
0.01085
-0.00978
41
0.00000
-0.01229
-0.01128
42
0.00000
-0.01229
0.01128