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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.05100
Eigenvectors
#
X
Y
Z
1
0.00000
0.03124
0.00981
2
0.00000
-0.03124
0.00981
3
0.00000
-0.03709
-0.00714
4
0.00000
0.05942
-0.01390
5
0.00000
-0.05942
-0.01390
6
0.00000
0.03709
-0.00714
7
0.00000
0.01549
0.00455
8
0.00000
-0.01842
0.02203
9
0.00000
0.01842
0.02203
10
0.00000
-0.01549
0.00455
11
0.00000
0.05237
0.01818
12
0.00000
-0.06142
-0.01059
13
0.00000
0.06142
-0.01059
14
0.00000
-0.05237
0.01818
15
0.00000
-0.01430
0.00416
16
0.00000
0.01430
0.00416
17
0.00000
0.01070
-0.05680
18
0.00000
0.00940
0.06534
19
0.00000
-0.00940
0.06534
20
0.00000
-0.01070
-0.05680
21
0.00000
-0.03263
0.00723
22
0.00000
-0.00210
-0.03709
23
0.00000
0.00210
-0.03709
24
0.00000
0.03263
0.00723
25
0.00000
-0.01747
-0.07046
26
0.00000
0.01747
-0.07046
27
0.00000
0.00391
0.03079
28
0.00000
-0.00391
0.03079
29
0.00000
0.01027
0.16513
30
0.00000
0.01295
-0.14897
31
0.00000
-0.01295
-0.14897
32
0.00000
-0.01027
0.16513
33
0.00000
0.12238
0.10372
34
0.00000
0.01848
-0.02979
35
0.00000
-0.01848
-0.02979
36
0.00000
-0.12238
0.10372
37
0.00000
0.03521
0.05513
38
0.00000
0.02862
0.04957
39
0.00000
-0.02862
0.04957
40
0.00000
-0.03521
0.05513
41
0.00000
-0.01402
0.20873
42
0.00000
0.01402
0.20873