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)
0.04900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00023
0.00017
2
0.00000
-0.00023
0.00017
3
0.00000
-0.00002
-0.00001
4
0.00000
-0.00041
0.00006
5
0.00000
0.00041
0.00006
6
0.00000
0.00002
-0.00001
7
0.00000
0.00003
0.00000
8
0.00000
-0.00253
-0.00082
9
0.00000
0.00253
-0.00082
10
0.00000
-0.00003
0.00000
11
0.00000
0.00001
0.00001
12
0.00000
-0.01084
0.01583
13
0.00000
0.01084
0.01584
14
0.00000
-0.00001
0.00001
15
0.00000
0.00042
0.00123
16
0.00000
-0.00042
0.00123
17
0.00000
-0.00158
-0.00006
18
0.00000
0.02647
0.00164
19
0.00000
-0.02646
0.00164
20
0.00000
0.00158
-0.00006
21
0.00000
0.00023
-0.00027
22
0.00000
0.02511
-0.04415
23
0.00000
-0.02509
-0.04413
24
0.00000
-0.00023
-0.00028
25
0.00000
-0.00027
-0.00001
26
0.00000
0.00028
-0.00001
27
0.00000
0.00013
-0.00014
28
0.00000
-0.00013
-0.00014
29
0.00000
0.01806
-0.00072
30
0.00000
-0.28973
-0.00040
31
0.00000
0.28958
-0.00040
32
0.00000
-0.01806
-0.00072
33
0.00000
-0.00207
0.00297
34
0.00000
-0.28825
0.49147
35
0.00000
0.28809
0.49120
36
0.00000
0.00208
0.00299
37
0.00000
-0.00114
0.00189
38
0.00000
0.10816
-0.17919
39
0.00000
-0.10817
-0.17921
40
0.00000
0.00114
0.00190
41
0.00000
0.00312
-0.00007
42
0.00000
-0.00314
-0.00007