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)
0.09400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00005
0.00003
2
0.00000
0.00005
0.00003
3
0.00000
-0.00012
0.00013
4
0.00000
0.00001
-0.00001
5
0.00000
-0.00001
-0.00001
6
0.00000
0.00012
0.00013
7
0.00000
-0.00077
-0.00001
8
0.00000
-0.00002
-0.00001
9
0.00000
0.00002
-0.00001
10
0.00000
0.00077
-0.00001
11
0.00000
0.00014
-0.00074
12
0.00000
-0.00013
0.00023
13
0.00000
0.00013
0.00023
14
0.00000
-0.00014
-0.00074
15
0.00000
-0.00011
0.00025
16
0.00000
0.00011
0.00025
17
0.00000
0.00484
0.00045
18
0.00000
-0.00030
-0.00004
19
0.00000
0.00030
-0.00004
20
0.00000
-0.00484
0.00045
21
0.00000
0.00754
-0.01238
22
0.00000
-0.00010
0.00024
23
0.00000
0.00010
0.00024
24
0.00000
-0.00754
-0.01238
25
0.00000
-0.03458
0.00274
26
0.00000
0.03458
0.00274
27
0.00000
0.02550
-0.03770
28
0.00000
-0.02550
-0.03770
29
0.00000
-0.05124
-0.00059
30
0.00000
0.00331
-0.00012
31
0.00000
-0.00330
-0.00012
32
0.00000
0.05125
-0.00059
33
0.00000
-0.08577
0.13517
34
0.00000
0.00149
-0.00259
35
0.00000
-0.00149
-0.00259
36
0.00000
0.08577
0.13517
37
0.00000
-0.26268
0.43803
38
0.00000
0.00148
-0.00249
39
0.00000
-0.00147
-0.00249
40
0.00000
0.26269
0.43804
41
0.00000
0.40627
-0.00999
42
0.00000
-0.40628
-0.00999