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)
-0.72400
Eigenvectors
#
X
Y
Z
1
0.00000
0.06595
0.00030
2
0.00000
-0.06594
0.00031
3
0.00000
0.02718
-0.05097
4
0.00000
-0.01075
0.03686
5
0.00000
0.01075
0.03687
6
0.00000
-0.02718
-0.05095
7
0.00000
-0.01725
-0.00552
8
0.00000
0.06157
0.04149
9
0.00000
-0.06159
0.04151
10
0.00000
0.01724
-0.00552
11
0.00000
0.00149
0.02949
12
0.00000
-0.00398
-0.03186
13
0.00000
0.00398
-0.03187
14
0.00000
-0.00149
0.02947
15
0.00000
0.00105
0.01186
16
0.00000
-0.00105
0.01184
17
0.00000
0.00722
0.02114
18
0.00000
-0.00925
-0.01545
19
0.00000
0.00926
-0.01546
20
0.00000
-0.00722
0.02114
21
0.00000
-0.01785
-0.02146
22
0.00000
-0.00074
0.01483
23
0.00000
0.00074
0.01483
24
0.00000
0.01785
-0.02146
25
0.00000
0.01457
0.01427
26
0.00000
-0.01457
0.01426
27
0.00000
-0.00488
-0.01535
28
0.00000
0.00488
-0.01534
29
0.00000
0.00818
0.27354
30
0.00000
-0.01163
-0.20840
31
0.00000
0.01164
-0.20846
32
0.00000
-0.00817
0.27350
33
0.00000
-0.17896
-0.12264
34
0.00000
-0.07695
-0.02579
35
0.00000
0.07701
-0.02583
36
0.00000
0.17894
-0.12261
37
0.00000
-0.07100
-0.05680
38
0.00000
-0.22822
-0.17004
39
0.00000
0.22829
-0.17009
40
0.00000
0.07099
-0.05679
41
0.00000
0.01442
-0.04255
42
0.00000
-0.01442
-0.04252