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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.17300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03362
-0.09514
2
0.00000
-0.03362
0.09514
3
0.00000
0.02973
0.05386
4
0.00000
-0.00089
-0.09910
5
0.00000
-0.00089
0.09910
6
0.00000
0.02973
-0.05386
7
0.00000
-0.03501
-0.00900
8
0.00000
0.00049
0.05640
9
0.00000
0.00049
-0.05640
10
0.00000
-0.03501
0.00900
11
0.00000
0.01389
-0.00690
12
0.00000
-0.00734
-0.01926
13
0.00000
-0.00734
0.01926
14
0.00000
0.01389
0.00690
15
0.00000
0.04147
0.02134
16
0.00000
0.04147
-0.02134
17
0.00000
-0.02701
-0.00824
18
0.00000
-0.00078
0.02414
19
0.00000
-0.00078
-0.02414
20
0.00000
-0.02701
0.00824
21
0.00000
0.04234
0.02295
22
0.00000
-0.01132
-0.02565
23
0.00000
-0.01132
0.02565
24
0.00000
0.04234
-0.02295
25
0.00000
-0.01716
-0.02218
26
0.00000
-0.01716
0.02218
27
0.00000
0.01931
0.03469
28
0.00000
0.01931
-0.03469
29
0.00000
-0.03007
0.03063
30
0.00000
0.00020
-0.02973
31
0.00000
0.00020
0.02973
32
0.00000
-0.03007
-0.03063
33
0.00000
-0.11473
-0.07370
34
0.00000
0.07341
0.02152
35
0.00000
0.07341
-0.02152
36
0.00000
-0.11473
0.07370
37
0.00000
-0.10195
-0.03252
38
0.00000
0.02417
-0.00321
39
0.00000
0.02417
0.00321
40
0.00000
-0.10195
0.03252
41
0.00000
-0.01874
0.06706
42
0.00000
-0.01874
-0.06706