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)
-1.80300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00011
0.00008
2
0.00000
-0.00011
0.00008
3
0.00000
-0.00003
0.00022
4
0.00000
-0.00015
-0.00010
5
0.00000
0.00015
-0.00010
6
0.00000
0.00003
0.00022
7
0.00000
0.00000
-0.00001
8
0.00000
0.00225
0.00144
9
0.00000
-0.00225
0.00144
10
0.00000
0.00000
-0.00001
11
0.00000
0.00009
0.00019
12
0.00000
0.03049
-0.04547
13
0.00000
-0.03049
-0.04547
14
0.00000
-0.00009
0.00019
15
0.00000
0.00009
-0.00004
16
0.00000
-0.00009
-0.00004
17
0.00000
0.01290
0.00026
18
0.00000
-0.01851
-0.00068
19
0.00000
0.01851
-0.00068
20
0.00000
-0.01290
0.00026
21
0.00000
-0.00326
0.00538
22
0.00000
-0.00036
-0.00003
23
0.00000
0.00036
-0.00003
24
0.00000
0.00326
0.00538
25
0.00000
0.00097
0.00010
26
0.00000
-0.00097
0.00010
27
0.00000
0.00204
-0.00363
28
0.00000
-0.00204
-0.00363
29
0.00000
-0.15587
-0.00001
30
0.00000
0.21730
0.00034
31
0.00000
-0.21730
0.00034
32
0.00000
0.15587
-0.00001
33
0.00000
0.04021
-0.06614
34
0.00000
-0.00472
0.00437
35
0.00000
0.00472
0.00437
36
0.00000
-0.04021
-0.06614
37
0.00000
-0.02304
0.03841
38
0.00000
-0.31029
0.52698
39
0.00000
0.31029
0.52698
40
0.00000
0.02304
0.03841
41
0.00000
-0.00705
-0.00052
42
0.00000
0.00705
-0.00052