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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00001
0.00000
0.00000
2
0.00001
0.00000
0.00000
3
0.00026
0.00000
0.00000
4
-0.00208
0.00000
0.00000
5
0.00208
0.00000
0.00000
6
-0.00026
0.00000
0.00000
7
-0.00733
0.00000
0.00000
8
-0.01053
0.00000
0.00000
9
0.01053
0.00000
0.00000
10
0.00733
0.00000
0.00000
11
0.00499
0.00000
0.00000
12
0.07375
0.00000
0.00000
13
-0.07375
0.00000
0.00000
14
-0.00499
0.00000
0.00000
15
0.01733
0.00000
0.00000
16
-0.01733
0.00000
0.00000
17
-0.04941
0.00000
0.00000
18
0.03564
0.00000
0.00000
19
-0.03564
0.00000
0.00000
20
0.04941
0.00000
0.00000
21
0.04040
0.00000
0.00000
22
-0.01704
0.00000
0.00000
23
0.01704
0.00000
0.00000
24
-0.04040
0.00000
0.00000
25
-0.00561
0.00000
0.00000
26
0.00561
0.00000
0.00000
27
0.01478
0.00000
0.00000
28
-0.01478
0.00000
0.00000
29
0.26788
0.00000
0.00000
30
-0.19564
0.00000
0.00000
31
0.19564
0.00000
0.00000
32
-0.26788
0.00000
0.00000
33
-0.21162
0.00000
0.00000
34
0.11315
0.00000
0.00000
35
-0.11315
0.00000
0.00000
36
0.21162
0.00000
0.00000
37
-0.07411
0.00000
0.00000
38
-0.42679
0.00000
0.00000
39
0.42679
0.00000
0.00000
40
0.07411
0.00000
0.00000
41
0.01204
0.00000
0.00000
42
-0.01204
0.00000
0.00000