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)
-0.86200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00725
0.04247
2
0.00000
-0.00725
-0.04248
3
0.00000
-0.04850
0.00670
4
0.00000
0.02775
-0.05010
5
0.00000
0.02775
0.05010
6
0.00000
-0.04850
-0.00671
7
0.00000
0.00215
-0.01883
8
0.00000
-0.01011
-0.03939
9
0.00000
-0.01011
0.03939
10
0.00000
0.00214
0.01882
11
0.00000
-0.03542
-0.07053
12
0.00000
-0.00962
0.05988
13
0.00000
-0.00962
-0.05988
14
0.00000
-0.03542
0.07054
15
0.00000
0.00580
-0.03216
16
0.00000
0.00579
0.03216
17
0.00000
0.02229
0.03644
18
0.00000
-0.00278
-0.03736
19
0.00000
-0.00278
0.03736
20
0.00000
0.02230
-0.03644
21
0.00000
0.00183
-0.04843
22
0.00000
0.00320
0.05493
23
0.00000
0.00320
-0.05494
24
0.00000
0.00183
0.04843
25
0.00000
0.05687
0.01511
26
0.00000
0.05687
-0.01511
27
0.00000
-0.02213
0.02232
28
0.00000
-0.02213
-0.02232
29
0.00000
0.02434
0.14000
30
0.00000
-0.00387
-0.17916
31
0.00000
-0.00387
0.17917
32
0.00000
0.02435
-0.14001
33
0.00000
0.02586
-0.03707
34
0.00000
0.06374
0.09458
35
0.00000
0.06375
-0.09459
36
0.00000
0.02585
0.03708
37
0.00000
-0.05600
0.00174
38
0.00000
0.07801
0.11593
39
0.00000
0.07800
-0.11593
40
0.00000
-0.05600
-0.00175
41
0.00000
0.05740
0.05466
42
0.00000
0.05740
-0.05465