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)
-0.52800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01869
0.02592
2
0.00000
0.01869
-0.02592
3
0.00000
0.00238
-0.01326
4
0.00000
-0.00549
0.04368
5
0.00000
-0.00550
-0.04368
6
0.00000
0.00239
0.01326
7
0.00000
-0.03529
0.02341
8
0.00000
0.01016
-0.02905
9
0.00000
0.01016
0.02906
10
0.00000
-0.03529
-0.02341
11
0.00000
0.02440
-0.06290
12
0.00000
0.00423
0.01230
13
0.00000
0.00424
-0.01230
14
0.00000
0.02439
0.06290
15
0.00000
-0.02985
0.00432
16
0.00000
-0.02985
-0.00432
17
0.00000
0.00202
-0.00578
18
0.00000
0.01004
0.01592
19
0.00000
0.01004
-0.01591
20
0.00000
0.00201
0.00578
21
0.00000
0.02655
0.00305
22
0.00000
-0.01137
-0.00429
23
0.00000
-0.01136
0.00428
24
0.00000
0.02656
-0.00305
25
0.00000
-0.04772
0.02364
26
0.00000
-0.04772
-0.02365
27
0.00000
0.06525
0.06675
28
0.00000
0.06525
-0.06675
29
0.00000
0.00202
-0.07300
30
0.00000
0.01045
-0.05795
31
0.00000
0.01045
0.05792
32
0.00000
0.00202
0.07303
33
0.00000
0.04180
0.00802
34
0.00000
-0.01677
-0.00825
35
0.00000
-0.01679
0.00825
36
0.00000
0.04177
-0.00800
37
0.00000
-0.36779
-0.18402
38
0.00000
-0.01445
0.00165
39
0.00000
-0.01445
-0.00165
40
0.00000
-0.36779
0.18403
41
0.00000
-0.06022
-0.15057
42
0.00000
-0.06021
0.15060