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)
-0.22900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.10273
-0.01483
2
0.00000
0.10273
-0.01483
3
0.00000
-0.02823
-0.06011
4
0.00000
0.02838
0.04206
5
0.00000
-0.02838
0.04207
6
0.00000
0.02823
-0.06012
7
0.00000
0.00532
0.04720
8
0.00000
0.01603
-0.00884
9
0.00000
-0.01603
-0.00884
10
0.00000
-0.00532
0.04721
11
0.00000
0.02387
0.04008
12
0.00000
0.00079
-0.00189
13
0.00000
-0.00079
-0.00189
14
0.00000
-0.02388
0.04008
15
0.00000
-0.02988
-0.00213
16
0.00000
0.02988
-0.00213
17
0.00000
0.04325
-0.03261
18
0.00000
-0.07903
0.02058
19
0.00000
0.07903
0.02058
20
0.00000
-0.04325
-0.03261
21
0.00000
-0.01728
0.00359
22
0.00000
0.01778
0.00348
23
0.00000
-0.01778
0.00348
24
0.00000
0.01728
0.00359
25
0.00000
0.03329
0.00059
26
0.00000
-0.03329
0.00059
27
0.00000
0.01111
-0.02787
28
0.00000
-0.01111
-0.02787
29
0.00000
0.04583
-0.06285
30
0.00000
-0.08420
0.03042
31
0.00000
0.08420
0.03042
32
0.00000
-0.04583
-0.06286
33
0.00000
-0.14108
-0.07259
34
0.00000
0.14511
0.07996
35
0.00000
-0.14510
0.07995
36
0.00000
0.14108
-0.07259
37
0.00000
0.01285
-0.03082
38
0.00000
-0.01347
-0.01095
39
0.00000
0.01348
-0.01095
40
0.00000
-0.01285
-0.03082
41
0.00000
0.03537
-0.04389
42
0.00000
-0.03537
-0.04389