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)
-0.39400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03066
0.00000
0.00000
2
-0.03066
0.00000
0.00000
3
-0.00251
0.00000
0.00000
4
-0.02366
0.00000
0.00000
5
-0.02366
0.00000
0.00000
6
-0.00251
0.00000
0.00000
7
-0.00168
0.00000
0.00000
8
0.05010
0.00000
0.00000
9
0.05010
0.00000
0.00000
10
-0.00168
0.00000
0.00000
11
0.09882
0.00000
0.00000
12
-0.01381
0.00000
0.00000
13
-0.01381
0.00000
0.00000
14
0.09882
0.00000
0.00000
15
0.02411
0.00000
0.00000
16
0.02411
0.00000
0.00000
17
0.06641
0.00000
0.00000
18
-0.04629
0.00000
0.00000
19
-0.04629
0.00000
0.00000
20
0.06641
0.00000
0.00000
21
-0.07376
0.00000
0.00000
22
0.02439
0.00000
0.00000
23
0.02439
0.00000
0.00000
24
-0.07376
0.00000
0.00000
25
-0.06083
0.00000
0.00000
26
-0.06083
0.00000
0.00000
27
0.02906
0.00000
0.00000
28
0.02906
0.00000
0.00000
29
0.13009
0.00000
0.00000
30
-0.12706
0.00000
0.00000
31
-0.12706
0.00000
0.00000
32
0.13009
0.00000
0.00000
33
-0.12660
0.00000
0.00000
34
0.00341
0.00000
0.00000
35
0.00341
0.00000
0.00000
36
-0.12660
0.00000
0.00000
37
-0.02103
0.00000
0.00000
38
-0.08088
0.00000
0.00000
39
-0.08088
0.00000
0.00000
40
-0.02103
0.00000
0.00000
41
-0.25040
0.00000
0.00000
42
-0.25040
0.00000
0.00000