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)
-0.14400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00007
0.00005
2
0.00000
0.00007
0.00005
3
0.00000
-0.00018
0.00018
4
0.00000
-0.00001
0.00001
5
0.00000
0.00001
0.00001
6
0.00000
0.00018
0.00018
7
0.00000
-0.00125
0.00000
8
0.00000
0.00003
0.00000
9
0.00000
-0.00003
0.00000
10
0.00000
0.00125
0.00000
11
0.00000
0.00033
-0.00151
12
0.00000
0.00000
-0.00001
13
0.00000
0.00000
-0.00001
14
0.00000
-0.00033
-0.00151
15
0.00000
-0.00014
0.00040
16
0.00000
0.00014
0.00040
17
0.00000
0.00611
0.00083
18
0.00000
-0.00017
0.00000
19
0.00000
0.00017
0.00000
20
0.00000
-0.00611
0.00083
21
0.00000
0.01504
-0.02411
22
0.00000
0.00001
-0.00006
23
0.00000
-0.00001
-0.00006
24
0.00000
-0.01504
-0.02411
25
0.00000
-0.03642
-0.00056
26
0.00000
0.03642
-0.00056
27
0.00000
-0.02096
0.03346
28
0.00000
0.02096
0.03346
29
0.00000
-0.06291
-0.00102
30
0.00000
0.00197
-0.00017
31
0.00000
-0.00197
-0.00017
32
0.00000
0.06291
-0.00102
33
0.00000
-0.17042
0.27042
34
0.00000
-0.00025
0.00033
35
0.00000
0.00023
0.00031
36
0.00000
0.17042
0.27042
37
0.00000
0.21803
-0.36633
38
0.00000
-0.00005
0.00008
39
0.00000
0.00005
0.00008
40
0.00000
-0.21803
-0.36633
41
0.00000
0.40464
-0.00654
42
0.00000
-0.40464
-0.00654