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)
-0.02400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04038
0.00000
0.00000
2
-0.04038
0.00000
0.00000
3
0.00328
0.00000
0.00000
4
-0.04901
0.00000
0.00000
5
-0.04901
0.00000
0.00000
6
0.00328
0.00000
0.00000
7
0.04550
0.00000
0.00000
8
-0.00632
0.00000
0.00000
9
-0.00632
0.00000
0.00000
10
0.04550
0.00000
0.00000
11
0.09736
0.00000
0.00000
12
-0.02551
0.00000
0.00000
13
-0.02551
0.00000
0.00000
14
0.09736
0.00000
0.00000
15
-0.03608
0.00000
0.00000
16
-0.03608
0.00000
0.00000
17
-0.06325
0.00000
0.00000
18
0.04101
0.00000
0.00000
19
0.04101
0.00000
0.00000
20
-0.06325
0.00000
0.00000
21
-0.02091
0.00000
0.00000
22
0.07407
0.00000
0.00000
23
0.07407
0.00000
0.00000
24
-0.02091
0.00000
0.00000
25
0.04900
0.00000
0.00000
26
0.04900
0.00000
0.00000
27
-0.06701
0.00000
0.00000
28
-0.06701
0.00000
0.00000
29
-0.10096
0.00000
0.00000
30
0.07895
0.00000
0.00000
31
0.07895
0.00000
0.00000
32
-0.10096
0.00000
0.00000
33
-0.03244
0.00000
0.00000
34
0.14494
0.00000
0.00000
35
0.14494
0.00000
0.00000
36
-0.03244
0.00000
0.00000
37
-0.15107
0.00000
0.00000
38
-0.02690
0.00000
0.00000
39
-0.02690
0.00000
0.00000
40
-0.15107
0.00000
0.00000
41
0.06684
0.00000
0.00000
42
0.06684
0.00000
0.00000