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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
0.40500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01766
0.04388
2
0.00000
0.01766
0.04389
3
0.00000
0.05069
0.02654
4
0.00000
0.05018
-0.01882
5
0.00000
-0.05018
-0.01882
6
0.00000
-0.05069
0.02653
7
0.00000
0.03238
-0.08539
8
0.00000
-0.00198
-0.05097
9
0.00000
0.00197
-0.05097
10
0.00000
-0.03238
-0.08539
11
0.00000
-0.02860
0.06342
12
0.00000
-0.00978
0.02499
13
0.00000
0.00978
0.02499
14
0.00000
0.02860
0.06343
15
0.00000
0.00374
-0.04731
16
0.00000
-0.00374
-0.04731
17
0.00000
0.01759
0.01048
18
0.00000
0.01314
-0.00564
19
0.00000
-0.01314
-0.00564
20
0.00000
-0.01759
0.01048
21
0.00000
-0.04966
0.01392
22
0.00000
-0.03352
0.01329
23
0.00000
0.03352
0.01329
24
0.00000
0.04966
0.01392
25
0.00000
0.00786
-0.03139
26
0.00000
-0.00786
-0.03139
27
0.00000
0.03220
0.01174
28
0.00000
-0.03221
0.01174
29
0.00000
0.01518
0.13266
30
0.00000
0.01066
0.16302
31
0.00000
-0.01066
0.16301
32
0.00000
-0.01518
0.13267
33
0.00000
-0.04868
0.01618
34
0.00000
0.03064
0.04995
35
0.00000
-0.03063
0.04994
36
0.00000
0.04866
0.01619
37
0.00000
-0.05248
-0.03922
38
0.00000
0.13802
0.11621
39
0.00000
-0.13801
0.11621
40
0.00000
0.05248
-0.03923
41
0.00000
0.00948
-0.06657
42
0.00000
-0.00948
-0.06659