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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00064
0.00000
0.00000
2
-0.00064
0.00000
0.00000
3
-0.00119
0.00000
0.00000
4
-0.00091
0.00000
0.00000
5
0.00091
0.00000
0.00000
6
0.00119
0.00000
0.00000
7
-0.00831
0.00000
0.00000
8
-0.00473
0.00000
0.00000
9
0.00473
0.00000
0.00000
10
0.00831
0.00000
0.00000
11
0.00480
0.00000
0.00000
12
0.06158
0.00000
0.00000
13
-0.06158
0.00000
0.00000
14
-0.00480
0.00000
0.00000
15
0.02294
0.00000
0.00000
16
-0.02294
0.00000
0.00000
17
-0.05877
0.00000
0.00000
18
0.04376
0.00000
0.00000
19
-0.04376
0.00000
0.00000
20
0.05877
0.00000
0.00000
21
0.04724
0.00000
0.00000
22
-0.02655
0.00000
0.00000
23
0.02655
0.00000
0.00000
24
-0.04724
0.00000
0.00000
25
-0.00353
0.00000
0.00000
26
0.00353
0.00000
0.00000
27
0.01401
0.00000
0.00000
28
-0.01401
0.00000
0.00000
29
0.30018
0.00000
0.00000
30
-0.22173
0.00000
0.00000
31
0.22173
0.00000
0.00000
32
-0.30018
0.00000
0.00000
33
-0.23156
0.00000
0.00000
34
0.13908
0.00000
0.00000
35
-0.13908
0.00000
0.00000
36
0.23156
0.00000
0.00000
37
-0.06673
0.00000
0.00000
38
-0.35387
0.00000
0.00000
39
0.35387
0.00000
0.00000
40
0.06673
0.00000
0.00000
41
-0.00338
0.00000
0.00000
42
0.00338
0.00000
0.00000