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)
0.05700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06803
0.00831
2
0.00000
0.06802
-0.00831
3
0.00000
-0.04185
0.05924
4
0.00000
-0.02765
0.03169
5
0.00000
-0.02765
-0.03169
6
0.00000
-0.04186
-0.05924
7
0.00000
0.00406
0.00504
8
0.00000
-0.04891
-0.00394
9
0.00000
-0.04891
0.00394
10
0.00000
0.00406
-0.00503
11
0.00000
-0.00203
-0.05881
12
0.00000
0.00917
-0.01040
13
0.00000
0.00917
0.01040
14
0.00000
-0.00203
0.05881
15
0.00000
0.04253
-0.07209
16
0.00000
0.04253
0.07210
17
0.00000
-0.03858
0.02228
18
0.00000
0.00188
0.02880
19
0.00000
0.00188
-0.02880
20
0.00000
-0.03858
-0.02228
21
0.00000
0.00860
-0.00011
22
0.00000
0.01432
-0.05218
23
0.00000
0.01432
0.05218
24
0.00000
0.00860
0.00010
25
0.00000
-0.01044
-0.02144
26
0.00000
-0.01044
0.02144
27
0.00000
0.00076
0.02283
28
0.00000
0.00076
-0.02283
29
0.00000
-0.04336
0.13307
30
0.00000
0.00630
0.18888
31
0.00000
0.00630
-0.18887
32
0.00000
-0.04336
-0.13307
33
0.00000
0.15469
0.09071
34
0.00000
-0.02698
-0.08353
35
0.00000
-0.02697
0.08352
36
0.00000
0.15469
-0.09071
37
0.00000
0.11005
0.08943
38
0.00000
0.05007
0.01372
39
0.00000
0.05008
-0.01373
40
0.00000
0.11006
-0.08943
41
0.00000
-0.01133
0.00101
42
0.00000
-0.01133
-0.00100