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)
-0.91100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00007
0.00008
2
0.00000
0.00007
-0.00008
3
0.00000
0.00017
0.00014
4
0.00000
0.00003
-0.00026
5
0.00000
0.00003
0.00026
6
0.00000
0.00017
-0.00014
7
0.00000
0.00013
-0.00006
8
0.00000
0.00263
0.00112
9
0.00000
0.00263
-0.00112
10
0.00000
0.00013
0.00006
11
0.00000
0.00004
0.00008
12
0.00000
0.01928
-0.03383
13
0.00000
0.01928
0.03383
14
0.00000
0.00004
-0.00008
15
0.00000
0.00025
-0.00088
16
0.00000
0.00025
0.00088
17
0.00000
-0.00973
-0.00003
18
0.00000
0.01470
-0.00134
19
0.00000
0.01470
0.00134
20
0.00000
-0.00973
0.00003
21
0.00000
0.00030
0.00057
22
0.00000
-0.01898
0.03252
23
0.00000
-0.01898
-0.03252
24
0.00000
0.00030
-0.00057
25
0.00000
-0.00017
-0.00003
26
0.00000
-0.00017
0.00003
27
0.00000
0.00006
0.00006
28
0.00000
0.00006
-0.00006
29
0.00000
0.10757
0.00041
30
0.00000
-0.18939
0.00079
31
0.00000
-0.18939
-0.00079
32
0.00000
0.10757
-0.00041
33
0.00000
-0.00188
0.00180
34
0.00000
0.21566
-0.37815
35
0.00000
0.21566
0.37815
36
0.00000
-0.00188
-0.00180
37
0.00000
-0.00030
0.00020
38
0.00000
-0.23746
0.40498
39
0.00000
-0.23746
-0.40498
40
0.00000
-0.00030
-0.00020
41
0.00000
0.00132
-0.00009
42
0.00000
0.00132
0.00009