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)
0.14600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00014
-0.00026
2
0.00000
-0.00014
-0.00026
3
0.00000
0.00017
0.00005
4
0.00000
0.00007
-0.00008
5
0.00000
-0.00007
-0.00008
6
0.00000
-0.00017
0.00005
7
0.00000
-0.00004
0.00043
8
0.00000
-0.00122
-0.00067
9
0.00000
0.00122
-0.00067
10
0.00000
0.00004
0.00043
11
0.00000
0.00007
0.00046
12
0.00000
-0.00686
0.01022
13
0.00000
0.00686
0.01022
14
0.00000
-0.00007
0.00046
15
0.00000
0.00030
0.00218
16
0.00000
-0.00030
0.00218
17
0.00000
0.04626
0.00014
18
0.00000
0.00860
0.00034
19
0.00000
-0.00860
0.00034
20
0.00000
-0.04626
0.00014
21
0.00000
-0.01065
0.01556
22
0.00000
0.01029
-0.01935
23
0.00000
-0.01029
-0.01935
24
0.00000
0.01065
0.01556
25
0.00000
0.00748
-0.00041
26
0.00000
-0.00748
-0.00041
27
0.00000
-0.00355
0.00494
28
0.00000
0.00355
0.00494
29
0.00000
-0.54816
-0.00035
30
0.00000
-0.08767
-0.00171
31
0.00000
0.08767
-0.00171
32
0.00000
0.54816
-0.00035
33
0.00000
0.12418
-0.20212
34
0.00000
-0.12329
0.21703
35
0.00000
0.12329
0.21703
36
0.00000
-0.12418
-0.20212
37
0.00000
0.03678
-0.06110
38
0.00000
0.06859
-0.11518
39
0.00000
-0.06859
-0.11518
40
0.00000
-0.03678
-0.06110
41
0.00000
-0.08368
0.00222
42
0.00000
0.08368
0.00222