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)
-0.14100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00003
0.00006
2
0.00000
0.00003
0.00006
3
0.00000
-0.00039
0.00019
4
0.00000
0.00003
-0.00002
5
0.00000
-0.00003
-0.00002
6
0.00000
0.00039
0.00019
7
0.00000
-0.00133
-0.00024
8
0.00000
-0.00001
-0.00001
9
0.00000
0.00001
-0.00001
10
0.00000
0.00133
-0.00024
11
0.00000
0.00023
0.00090
12
0.00000
-0.00001
0.00007
13
0.00000
0.00001
0.00007
14
0.00000
-0.00023
0.00090
15
0.00000
-0.00019
0.00058
16
0.00000
0.00019
0.00058
17
0.00000
0.00690
0.00152
18
0.00000
-0.00009
-0.00003
19
0.00000
0.00009
-0.00003
20
0.00000
-0.00690
0.00152
21
0.00000
0.02610
-0.04130
22
0.00000
0.00004
-0.00003
23
0.00000
-0.00004
-0.00003
24
0.00000
-0.02611
-0.04131
25
0.00000
0.03037
-0.00070
26
0.00000
-0.03038
-0.00070
27
0.00000
0.00448
-0.00818
28
0.00000
-0.00448
-0.00818
29
0.00000
-0.06790
-0.00164
30
0.00000
0.00084
-0.00017
31
0.00000
-0.00084
-0.00017
32
0.00000
0.06793
-0.00164
33
0.00000
-0.29759
0.47733
34
0.00000
-0.00021
0.00024
35
0.00000
0.00020
0.00023
36
0.00000
0.29768
0.47747
37
0.00000
-0.04833
0.08215
38
0.00000
0.00033
-0.00055
39
0.00000
-0.00033
-0.00055
40
0.00000
0.04833
0.08217
41
0.00000
-0.35323
0.00451
42
0.00000
0.35333
0.00451