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)
0.19800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02595
0.02664
2
0.00000
-0.02595
-0.02664
3
0.00000
0.00629
0.02595
4
0.00000
-0.00325
-0.03790
5
0.00000
-0.00325
0.03790
6
0.00000
0.00629
-0.02595
7
0.00000
0.04559
0.04257
8
0.00000
0.01285
-0.05083
9
0.00000
0.01284
0.05083
10
0.00000
0.04559
-0.04257
11
0.00000
0.00557
0.04447
12
0.00000
-0.01347
-0.04743
13
0.00000
-0.01347
0.04743
14
0.00000
0.00557
-0.04447
15
0.00000
-0.04106
-0.03388
16
0.00000
-0.04106
0.03388
17
0.00000
0.02955
0.01175
18
0.00000
-0.03575
0.06781
19
0.00000
-0.03576
-0.06781
20
0.00000
0.02955
-0.01175
21
0.00000
0.06254
0.00234
22
0.00000
0.01764
0.03577
23
0.00000
0.01764
-0.03577
24
0.00000
0.06254
-0.00234
25
0.00000
-0.02900
0.05147
26
0.00000
-0.02900
-0.05147
27
0.00000
-0.03515
0.04906
28
0.00000
-0.03515
-0.04906
29
0.00000
0.02923
0.08563
30
0.00000
-0.03636
0.10471
31
0.00000
-0.03636
-0.10471
32
0.00000
0.02923
-0.08563
33
0.00000
0.05354
-0.00400
34
0.00000
0.08662
0.07655
35
0.00000
0.08662
-0.07655
36
0.00000
0.05354
0.00400
37
0.00000
0.01137
0.07690
38
0.00000
-0.07083
-0.08151
39
0.00000
-0.07083
0.08151
40
0.00000
0.01137
-0.07690
41
0.00000
-0.03059
0.02037
42
0.00000
-0.03059
-0.02037