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)
-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)
0.19700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01832
0.01308
2
0.00000
-0.01832
-0.01308
3
0.00000
0.06973
-0.03028
4
0.00000
-0.01797
-0.01480
5
0.00000
-0.01797
0.01480
6
0.00000
0.06973
0.03028
7
0.00000
0.03521
-0.08076
8
0.00000
0.01447
-0.02031
9
0.00000
0.01447
0.02031
10
0.00000
0.03521
0.08076
11
0.00000
-0.05564
-0.02689
12
0.00000
0.03586
-0.02197
13
0.00000
0.03586
0.02197
14
0.00000
-0.05564
0.02689
15
0.00000
-0.05031
0.02519
16
0.00000
-0.05031
-0.02519
17
0.00000
-0.07032
0.01095
18
0.00000
-0.02209
-0.01451
19
0.00000
-0.02209
0.01451
20
0.00000
-0.07032
-0.01095
21
0.00000
0.04081
-0.06242
22
0.00000
0.01436
-0.03185
23
0.00000
0.01436
0.03185
24
0.00000
0.04081
0.06242
25
0.00000
-0.02105
0.00092
26
0.00000
-0.02105
-0.00092
27
0.00000
0.03705
-0.01623
28
0.00000
0.03705
0.01623
29
0.00000
-0.07023
0.06900
30
0.00000
-0.02243
0.02192
31
0.00000
-0.02243
-0.02192
32
0.00000
-0.07023
-0.06900
33
0.00000
0.12608
-0.00905
34
0.00000
0.02208
-0.02759
35
0.00000
0.02208
0.02759
36
0.00000
0.12608
0.00905
37
0.00000
0.04057
-0.01365
38
0.00000
0.02253
-0.02994
39
0.00000
0.02253
0.02994
40
0.00000
0.04057
0.01365
41
0.00000
-0.02063
0.07116
42
0.00000
-0.02063
-0.07116