Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.09000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02949
0.02711
2
0.00000
-0.02949
-0.02711
3
0.00000
0.00245
0.02514
4
0.00000
-0.00211
-0.04016
5
0.00000
-0.00211
0.04016
6
0.00000
0.00245
-0.02514
7
0.00000
0.04352
0.04149
8
0.00000
0.01582
-0.05240
9
0.00000
0.01582
0.05240
10
0.00000
0.04352
-0.04149
11
0.00000
0.00728
0.04633
12
0.00000
-0.00547
-0.04860
13
0.00000
-0.00547
0.04860
14
0.00000
0.00728
-0.04633
15
0.00000
-0.04354
-0.03148
16
0.00000
-0.04354
0.03148
17
0.00000
0.03153
0.01257
18
0.00000
-0.03938
0.06307
19
0.00000
-0.03938
-0.06307
20
0.00000
0.03153
-0.01257
21
0.00000
0.06259
0.00523
22
0.00000
0.01864
0.03132
23
0.00000
0.01864
-0.03132
24
0.00000
0.06259
-0.00523
25
0.00000
-0.03098
0.04931
26
0.00000
-0.03098
-0.04931
27
0.00000
-0.03528
0.04927
28
0.00000
-0.03528
-0.04927
29
0.00000
0.03135
0.08958
30
0.00000
-0.03899
0.10118
31
0.00000
-0.03899
-0.10118
32
0.00000
0.03135
-0.08958
33
0.00000
0.05239
-0.00126
34
0.00000
0.09203
0.07339
35
0.00000
0.09203
-0.07339
36
0.00000
0.05239
0.00126
37
0.00000
0.01280
0.07673
38
0.00000
-0.06569
-0.08319
39
0.00000
-0.06569
0.08319
40
0.00000
0.01280
-0.07673
41
0.00000
-0.03146
0.01725
42
0.00000
-0.03146
-0.01725