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)
-0.04000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00004
2
0.00000
0.00000
-0.00004
3
0.00000
-0.00013
-0.00009
4
0.00000
-0.00008
0.00001
5
0.00000
0.00008
0.00001
6
0.00000
0.00013
-0.00009
7
0.00000
0.00006
0.00000
8
0.00000
0.00106
0.00051
9
0.00000
-0.00106
0.00051
10
0.00000
-0.00006
0.00000
11
0.00000
-0.00001
0.00005
12
0.00000
0.00341
-0.00493
13
0.00000
-0.00341
-0.00493
14
0.00000
0.00001
0.00005
15
0.00000
0.00005
0.00250
16
0.00000
-0.00005
0.00250
17
0.00000
0.03177
0.00005
18
0.00000
0.04005
-0.00071
19
0.00000
-0.04005
-0.00071
20
0.00000
-0.03177
0.00005
21
0.00000
-0.00373
0.00336
22
0.00000
-0.01456
0.02243
23
0.00000
0.01456
0.02243
24
0.00000
0.00373
0.00336
25
0.00000
0.00194
-0.00014
26
0.00000
-0.00194
-0.00014
27
0.00000
-0.00105
0.00142
28
0.00000
0.00105
0.00142
29
0.00000
-0.36171
-0.00038
30
0.00000
-0.46399
0.00024
31
0.00000
0.46399
0.00024
32
0.00000
0.36171
-0.00038
33
0.00000
0.03494
-0.05483
34
0.00000
0.15913
-0.27399
35
0.00000
-0.15913
-0.27399
36
0.00000
-0.03494
-0.05483
37
0.00000
0.01010
-0.01689
38
0.00000
-0.03280
0.05403
39
0.00000
0.03280
0.05403
40
0.00000
-0.01010
-0.01689
41
0.00000
-0.02158
0.00097
42
0.00000
0.02158
0.00097