Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.43000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01273
0.00000
0.00000
2
0.01273
0.00000
0.00000
3
0.06681
0.00000
0.00000
4
-0.07187
0.00000
0.00000
5
-0.07187
0.00000
0.00000
6
0.06681
0.00000
0.00000
7
-0.09861
0.00000
0.00000
8
0.07878
0.00000
0.00000
9
0.07878
0.00000
0.00000
10
-0.09861
0.00000
0.00000
11
0.01590
0.00000
0.00000
12
0.00860
0.00000
0.00000
13
0.00860
0.00000
0.00000
14
0.01590
0.00000
0.00000
15
-0.00376
0.00000
0.00000
16
-0.00376
0.00000
0.00000
17
-0.03752
0.00000
0.00000
18
0.03591
0.00000
0.00000
19
0.03591
0.00000
0.00000
20
-0.03752
0.00000
0.00000
21
0.02361
0.00000
0.00000
22
-0.03492
0.00000
0.00000
23
-0.03492
0.00000
0.00000
24
0.02361
0.00000
0.00000
25
0.02125
0.00000
0.00000
26
0.02125
0.00000
0.00000
27
0.00834
0.00000
0.00000
28
0.00834
0.00000
0.00000
29
0.02270
0.00000
0.00000
30
0.02723
0.00000
0.00000
31
0.02723
0.00000
0.00000
32
0.02270
0.00000
0.00000
33
0.21219
0.00000
0.00000
34
-0.13869
0.00000
0.00000
35
-0.13869
0.00000
0.00000
36
0.21219
0.00000
0.00000
37
-0.12974
0.00000
0.00000
38
-0.16510
0.00000
0.00000
39
-0.16510
0.00000
0.00000
40
-0.12974
0.00000
0.00000
41
-0.12934
0.00000
0.00000
42
-0.12934
0.00000
0.00000