Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-0.41700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01449
-0.01578
2
0.00000
0.01449
-0.01578
3
0.00000
-0.00993
0.00949
4
0.00000
0.00319
-0.00301
5
0.00000
-0.00319
-0.00301
6
0.00000
0.00993
0.00949
7
0.00000
-0.02431
0.00893
8
0.00000
-0.00359
0.00419
9
0.00000
0.00359
0.00419
10
0.00000
0.02431
0.00893
11
0.00000
-0.03377
0.00654
12
0.00000
-0.00245
-0.00006
13
0.00000
0.00245
-0.00006
14
0.00000
0.03377
0.00654
15
0.00000
-0.00390
-0.01071
16
0.00000
0.00390
-0.01071
17
0.00000
0.00265
-0.00335
18
0.00000
-0.00672
0.01022
19
0.00000
0.00671
0.01022
20
0.00000
-0.00265
-0.00335
21
0.00000
0.01028
-0.00819
22
0.00000
-0.00233
-0.00534
23
0.00000
0.00233
-0.00534
24
0.00000
-0.01028
-0.00819
25
0.00000
0.00670
0.01648
26
0.00000
-0.00670
0.01648
27
0.00000
-0.03941
-0.02171
28
0.00000
0.03941
-0.02171
29
0.00000
0.00261
0.04309
30
0.00000
-0.00712
0.09400
31
0.00000
0.00712
0.09400
32
0.00000
-0.00261
0.04309
33
0.00000
0.08684
0.03964
34
0.00000
-0.01848
-0.01486
35
0.00000
0.01848
-0.01486
36
0.00000
-0.08684
0.03965
37
0.00000
-0.50079
-0.29484
38
0.00000
0.01156
0.00852
39
0.00000
-0.01156
0.00852
40
0.00000
0.50079
-0.29484
41
0.00000
0.01142
0.27074
42
0.00000
-0.01142
0.27074