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)
-0.27500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01334
-0.06376
2
0.00000
-0.01334
0.06376
3
0.00000
-0.02579
-0.07757
4
0.00000
-0.04708
0.02847
5
0.00000
-0.04708
-0.02847
6
0.00000
-0.02579
0.07757
7
0.00000
0.00839
-0.05258
8
0.00000
-0.02313
-0.03427
9
0.00000
-0.02313
0.03427
10
0.00000
0.00839
0.05258
11
0.00000
0.02106
-0.02605
12
0.00000
0.01978
-0.08633
13
0.00000
0.01978
0.08633
14
0.00000
0.02106
0.02605
15
0.00000
0.02474
-0.01260
16
0.00000
0.02474
0.01260
17
0.00000
0.01018
0.02014
18
0.00000
0.05163
-0.01991
19
0.00000
0.05163
0.01991
20
0.00000
0.01018
-0.02014
21
0.00000
-0.02139
0.00285
22
0.00000
-0.00426
0.03450
23
0.00000
-0.00426
-0.03450
24
0.00000
-0.02139
-0.00285
25
0.00000
0.02075
0.02826
26
0.00000
0.02075
-0.02826
27
0.00000
-0.02373
0.05560
28
0.00000
-0.02373
-0.05560
29
0.00000
0.01072
-0.01476
30
0.00000
0.05381
-0.06338
31
0.00000
0.05381
0.06339
32
0.00000
0.01072
0.01476
33
0.00000
0.00360
0.01830
34
0.00000
-0.01741
0.02694
35
0.00000
-0.01741
-0.02694
36
0.00000
0.00360
-0.01830
37
0.00000
0.02056
0.08283
38
0.00000
-0.06421
-0.13764
39
0.00000
-0.06421
0.13764
40
0.00000
0.02056
-0.08283
41
0.00000
0.01904
-0.00023
42
0.00000
0.01904
0.00023