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)
-0.04100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00001
0.00007
2
0.00000
-0.00001
-0.00007
3
0.00000
0.00000
-0.00019
4
0.00000
-0.00001
0.00005
5
0.00000
-0.00001
-0.00005
6
0.00000
0.00000
0.00019
7
0.00000
0.00028
0.00041
8
0.00000
-0.00008
0.00004
9
0.00000
-0.00008
-0.00004
10
0.00000
0.00028
-0.00041
11
0.00000
0.00003
-0.00004
12
0.00000
-0.00171
0.00285
13
0.00000
-0.00171
-0.00285
14
0.00000
0.00003
0.00004
15
0.00000
0.00003
-0.00006
16
0.00000
0.00003
0.00006
17
0.00000
0.00734
0.00030
18
0.00000
0.00391
-0.00020
19
0.00000
0.00391
0.00020
20
0.00000
0.00734
-0.00030
21
0.00000
-0.00225
0.00296
22
0.00000
-0.00179
0.00336
23
0.00000
-0.00179
-0.00336
24
0.00000
-0.00225
-0.00296
25
0.00000
0.01322
-0.00132
26
0.00000
0.01322
0.00132
27
0.00000
-0.02647
0.04661
28
0.00000
-0.02647
-0.04661
29
0.00000
-0.08599
0.00017
30
0.00000
-0.04649
0.00022
31
0.00000
-0.04649
-0.00022
32
0.00000
-0.08599
-0.00017
33
0.00000
0.02389
-0.03781
34
0.00000
0.02291
-0.03959
35
0.00000
0.02291
0.03959
36
0.00000
0.02389
0.03781
37
0.00000
0.32633
-0.55443
38
0.00000
0.02018
-0.03488
39
0.00000
0.02018
0.03488
40
0.00000
0.32633
0.55443
41
0.00000
-0.17130
0.00276
42
0.00000
-0.17130
-0.00276