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)
0.03300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01340
-0.05898
2
0.00000
-0.01340
0.05898
3
0.00000
-0.04152
-0.07082
4
0.00000
-0.02555
0.01667
5
0.00000
-0.02555
-0.01667
6
0.00000
-0.04152
0.07082
7
0.00000
-0.00762
-0.06370
8
0.00000
-0.01418
-0.02721
9
0.00000
-0.01418
0.02721
10
0.00000
-0.00762
0.06370
11
0.00000
0.01895
-0.01200
12
0.00000
0.02280
-0.08828
13
0.00000
0.02280
0.08828
14
0.00000
0.01895
0.01200
15
0.00000
0.02636
0.01851
16
0.00000
0.02636
-0.01851
17
0.00000
-0.00406
0.01053
18
0.00000
0.06024
-0.01040
19
0.00000
0.06024
0.01040
20
0.00000
-0.00406
-0.01053
21
0.00000
0.00290
0.00894
22
0.00000
-0.02097
0.02965
23
0.00000
-0.02097
-0.02965
24
0.00000
0.00290
-0.00894
25
0.00000
0.02221
0.02105
26
0.00000
0.02221
-0.02105
27
0.00000
-0.02909
0.06565
28
0.00000
-0.02909
-0.06565
29
0.00000
-0.00461
-0.01625
30
0.00000
0.05921
-0.05651
31
0.00000
0.05921
0.05651
32
0.00000
-0.00461
0.01625
33
0.00000
0.04949
0.03473
34
0.00000
-0.04437
0.01640
35
0.00000
-0.04437
-0.01640
36
0.00000
0.04949
-0.03473
37
0.00000
0.02594
0.09651
38
0.00000
-0.07201
-0.13973
39
0.00000
-0.07201
0.13973
40
0.00000
0.02594
-0.09651
41
0.00000
0.02119
-0.01913
42
0.00000
0.02119
0.01913