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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00256
0.00000
0.00000
2
-0.00257
0.00000
0.00000
3
-0.00984
0.00000
0.00000
4
-0.00048
0.00000
0.00000
5
0.00048
0.00000
0.00000
6
0.00984
0.00000
0.00000
7
0.03634
0.00000
0.00000
8
0.00207
0.00000
0.00000
9
-0.00207
0.00000
0.00000
10
-0.03634
0.00000
0.00000
11
-0.06580
0.00000
0.00000
12
-0.00030
0.00000
0.00000
13
0.00030
0.00000
0.00000
14
0.06580
0.00000
0.00000
15
-0.00508
0.00000
0.00000
16
0.00508
0.00000
0.00000
17
0.00523
0.00000
0.00000
18
-0.00164
0.00000
0.00000
19
0.00164
0.00000
0.00000
20
-0.00523
0.00000
0.00000
21
-0.01746
0.00000
0.00000
22
-0.00265
0.00000
0.00000
23
0.00265
0.00000
0.00000
24
0.01746
0.00000
0.00000
25
0.10587
0.00000
0.00000
26
-0.10587
0.00000
0.00000
27
0.01447
0.00000
0.00000
28
-0.01448
0.00000
0.00000
29
0.00980
0.00000
0.00000
30
0.00981
0.00000
0.00000
31
-0.00979
0.00000
0.00000
32
-0.00980
0.00000
0.00000
33
0.01422
0.00000
0.00000
34
0.01666
0.00000
0.00000
35
-0.01664
0.00000
0.00000
36
-0.01421
0.00000
0.00000
37
-0.24385
0.00000
0.00000
38
-0.00452
0.00000
0.00000
39
0.00453
0.00000
0.00000
40
0.24385
0.00000
0.00000
41
-0.47651
0.00000
0.00000
42
0.47651
0.00000
0.00000