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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01360
0.00000
0.00000
2
0.01360
0.00000
0.00000
3
0.00223
0.00000
0.00000
4
-0.01687
0.00000
0.00000
5
0.01687
0.00000
0.00000
6
-0.00223
0.00000
0.00000
7
0.04002
0.00000
0.00000
8
-0.08966
0.00000
0.00000
9
0.08966
0.00000
0.00000
10
-0.04002
0.00000
0.00000
11
0.01423
0.00000
0.00000
12
-0.07582
0.00000
0.00000
13
0.07582
0.00000
0.00000
14
-0.01423
0.00000
0.00000
15
-0.06959
0.00000
0.00000
16
0.06959
0.00000
0.00000
17
-0.02607
0.00000
0.00000
18
0.08150
0.00000
0.00000
19
-0.08150
0.00000
0.00000
20
0.02607
0.00000
0.00000
21
0.06886
0.00000
0.00000
22
-0.05293
0.00000
0.00000
23
0.05293
0.00000
0.00000
24
-0.06886
0.00000
0.00000
25
-0.00786
0.00000
0.00000
26
0.00786
0.00000
0.00000
27
-0.01209
0.00000
0.00000
28
0.01209
0.00000
0.00000
29
-0.02159
0.00000
0.00000
30
0.13927
0.00000
0.00000
31
-0.13927
0.00000
0.00000
32
0.02159
0.00000
0.00000
33
0.14739
0.00000
0.00000
34
-0.08695
0.00000
0.00000
35
0.08695
0.00000
0.00000
36
-0.14739
0.00000
0.00000
37
-0.02854
0.00000
0.00000
38
-0.13037
0.00000
0.00000
39
0.13037
0.00000
0.00000
40
0.02854
0.00000
0.00000
41
-0.02709
0.00000
0.00000
42
0.02709
0.00000
0.00000