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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.02500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02165
0.01465
2
0.00000
0.02165
0.01465
3
0.00000
-0.00374
-0.01437
4
0.00000
0.00488
0.03634
5
0.00000
-0.00488
0.03634
6
0.00000
0.00374
-0.01437
7
0.00000
-0.00998
-0.03445
8
0.00000
0.01172
0.05001
9
0.00000
-0.01172
0.05001
10
0.00000
0.00998
-0.03445
11
0.00000
0.00261
-0.06905
12
0.00000
0.00011
0.05987
13
0.00000
-0.00010
0.05987
14
0.00000
-0.00261
-0.06905
15
0.00000
-0.02784
0.02888
16
0.00000
0.02784
0.02888
17
0.00000
-0.03188
0.02494
18
0.00000
0.02871
0.03673
19
0.00000
-0.02871
0.03673
20
0.00000
0.03188
0.02493
21
0.00000
-0.01183
0.00638
22
0.00000
0.01424
0.04533
23
0.00000
-0.01424
0.04534
24
0.00000
0.01182
0.00638
25
0.00000
-0.00285
-0.08698
26
0.00000
0.00285
-0.08698
27
0.00000
0.00092
-0.09788
28
0.00000
-0.00092
-0.09788
29
0.00000
-0.03163
0.03036
30
0.00000
0.02861
0.03104
31
0.00000
-0.02861
0.03104
32
0.00000
0.03162
0.03035
33
0.00000
0.01148
0.01898
34
0.00000
0.00463
0.04002
35
0.00000
-0.00463
0.04002
36
0.00000
-0.01148
0.01898
37
0.00000
0.00627
-0.09527
38
0.00000
-0.00839
0.05499
39
0.00000
0.00840
0.05500
40
0.00000
-0.00626
-0.09528
41
0.00000
-0.00081
-0.08492
42
0.00000
0.00081
-0.08492