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)
0.00000
Diff mu Z
(Debye)
0.49000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00659
0.01973
2
0.00000
0.00659
0.01973
3
0.00000
-0.00828
0.04539
4
0.00000
-0.00991
0.03234
5
0.00000
0.00991
0.03234
6
0.00000
0.00828
0.04539
7
0.00000
-0.00460
0.03459
8
0.00000
-0.02395
0.00774
9
0.00000
0.02395
0.00774
10
0.00000
0.00460
0.03459
11
0.00000
0.01825
-0.01237
12
0.00000
0.00875
-0.08179
13
0.00000
-0.00875
-0.08179
14
0.00000
-0.01825
-0.01237
15
0.00000
-0.01329
-0.03495
16
0.00000
0.01329
-0.03495
17
0.00000
0.06591
-0.03733
18
0.00000
0.10008
0.00841
19
0.00000
-0.10008
0.00841
20
0.00000
-0.06591
-0.03733
21
0.00000
0.01024
-0.01161
22
0.00000
-0.00967
0.06635
23
0.00000
0.00967
0.06635
24
0.00000
-0.01024
-0.01161
25
0.00000
0.05750
-0.01877
26
0.00000
-0.05750
-0.01877
27
0.00000
0.00602
-0.00255
28
0.00000
-0.00602
-0.00255
29
0.00000
0.06592
-0.03375
30
0.00000
0.09856
-0.01438
31
0.00000
-0.09856
-0.01438
32
0.00000
-0.06592
-0.03375
33
0.00000
-0.05159
-0.04840
34
0.00000
-0.04405
0.04560
35
0.00000
0.04405
0.04560
36
0.00000
0.05159
-0.04840
37
0.00000
-0.03358
-0.02944
38
0.00000
0.05756
-0.05460
39
0.00000
-0.05756
-0.05460
40
0.00000
0.03358
-0.02944
41
0.00000
0.05709
-0.04584
42
0.00000
-0.05709
-0.04584