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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00689
0.00000
0.00000
2
-0.00689
0.00000
0.00000
3
-0.08319
0.00000
0.00000
4
-0.07624
0.00000
0.00000
5
0.07624
0.00000
0.00000
6
0.08318
0.00000
0.00000
7
0.04362
0.00000
0.00000
8
0.04522
0.00000
0.00000
9
-0.04522
0.00000
0.00000
10
-0.04362
0.00000
0.00000
11
-0.05319
0.00000
0.00000
12
-0.02442
0.00000
0.00000
13
0.02442
0.00000
0.00000
14
0.05320
0.00000
0.00000
15
-0.01062
0.00000
0.00000
16
0.01062
0.00000
0.00000
17
0.03716
0.00000
0.00000
18
0.03143
0.00000
0.00000
19
-0.03143
0.00000
0.00000
20
-0.03716
0.00000
0.00000
21
0.02643
0.00000
0.00000
22
0.01339
0.00000
0.00000
23
-0.01340
0.00000
0.00000
24
-0.02643
0.00000
0.00000
25
-0.00816
0.00000
0.00000
26
0.00816
0.00000
0.00000
27
-0.02308
0.00000
0.00000
28
0.02308
0.00000
0.00000
29
-0.18718
0.00000
0.00000
30
-0.17666
0.00000
0.00000
31
0.17667
0.00000
0.00000
32
0.18719
0.00000
0.00000
33
-0.26658
0.00000
0.00000
34
-0.19873
0.00000
0.00000
35
0.19873
0.00000
0.00000
36
0.26658
0.00000
0.00000
37
0.02646
0.00000
0.00000
38
-0.04273
0.00000
0.00000
39
0.04272
0.00000
0.00000
40
-0.02643
0.00000
0.00000
41
0.17229
0.00000
0.00000
42
-0.17227
0.00000
0.00000