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)
0.43600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00181
0.02137
2
0.00000
-0.00181
-0.02137
3
0.00000
-0.02659
0.01644
4
0.00000
-0.02421
-0.02887
5
0.00000
-0.02421
0.02887
6
0.00000
-0.02659
-0.01644
7
0.00000
-0.02699
-0.01541
8
0.00000
-0.00881
-0.02174
9
0.00000
-0.00881
0.02174
10
0.00000
-0.02699
0.01541
11
0.00000
-0.07312
-0.02205
12
0.00000
0.03532
-0.05063
13
0.00000
0.03532
0.05062
14
0.00000
-0.07313
0.02205
15
0.00000
0.02664
0.01294
16
0.00000
0.02664
-0.01294
17
0.00000
0.07495
0.02079
18
0.00000
0.01059
0.02559
19
0.00000
0.01058
-0.02558
20
0.00000
0.07495
-0.02080
21
0.00000
0.02344
0.05924
22
0.00000
-0.03165
0.03572
23
0.00000
-0.03165
-0.03571
24
0.00000
0.02344
-0.05924
25
0.00000
-0.03264
-0.04444
26
0.00000
-0.03265
0.04444
27
0.00000
0.04984
-0.07347
28
0.00000
0.04984
0.07348
29
0.00000
0.07678
0.01750
30
0.00000
0.00996
-0.00876
31
0.00000
0.00996
0.00876
32
0.00000
0.07678
-0.01750
33
0.00000
0.01985
0.05513
34
0.00000
-0.02122
0.04253
35
0.00000
-0.02122
-0.04252
36
0.00000
0.01985
-0.05513
37
0.00000
0.00206
-0.10221
38
0.00000
0.00146
-0.07188
39
0.00000
0.00146
0.07187
40
0.00000
0.00207
0.10221
41
0.00000
-0.02883
0.05994
42
0.00000
-0.02884
-0.05994