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)
-0.24300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05145
-0.06186
2
0.00000
0.05145
-0.06186
3
0.00000
-0.01875
0.08194
4
0.00000
0.00736
-0.02047
5
0.00000
-0.00736
-0.02047
6
0.00000
0.01875
0.08194
7
0.00000
0.03956
-0.05753
8
0.00000
-0.04206
0.06791
9
0.00000
0.04206
0.06791
10
0.00000
-0.03956
-0.05753
11
0.00000
0.02379
0.01206
12
0.00000
-0.03321
-0.02070
13
0.00000
0.03321
-0.02070
14
0.00000
-0.02379
0.01206
15
0.00000
0.04760
0.02278
16
0.00000
-0.04760
0.02278
17
0.00000
0.00981
0.05202
18
0.00000
0.00146
-0.01415
19
0.00000
-0.00146
-0.01415
20
0.00000
-0.00981
0.05202
21
0.00000
-0.03656
-0.03737
22
0.00000
0.03385
-0.00979
23
0.00000
-0.03385
-0.00979
24
0.00000
0.03656
-0.03737
25
0.00000
0.00260
0.01628
26
0.00000
-0.00260
0.01628
27
0.00000
0.00065
-0.00897
28
0.00000
-0.00065
-0.00897
29
0.00000
0.01399
-0.04778
30
0.00000
0.00204
-0.12747
31
0.00000
-0.00204
-0.12747
32
0.00000
-0.01399
-0.04778
33
0.00000
-0.04759
-0.04555
34
0.00000
0.10957
0.03315
35
0.00000
-0.10957
0.03315
36
0.00000
0.04759
-0.04555
37
0.00000
-0.02438
-0.02538
38
0.00000
-0.08969
-0.05114
39
0.00000
0.08969
-0.05114
40
0.00000
0.02438
-0.02538
41
0.00000
0.00252
0.00039
42
0.00000
-0.00252
0.00039