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)
-0.06200
Eigenvectors
#
X
Y
Z
1
0.00000
0.02257
-0.00679
2
0.00000
-0.02257
-0.00679
3
0.00000
0.01765
-0.01312
4
0.00000
-0.00570
0.02581
5
0.00000
0.00570
0.02581
6
0.00000
-0.01765
-0.01312
7
0.00000
0.05556
-0.00923
8
0.00000
0.00563
0.05919
9
0.00000
-0.00563
0.05919
10
0.00000
-0.05556
-0.00923
11
0.00000
0.00770
0.01038
12
0.00000
-0.00351
0.09559
13
0.00000
0.00351
0.09559
14
0.00000
-0.00771
0.01038
15
0.00000
0.04158
-0.04293
16
0.00000
-0.04157
-0.04294
17
0.00000
0.08385
-0.04531
18
0.00000
0.00139
-0.01976
19
0.00000
-0.00139
-0.01976
20
0.00000
-0.08385
-0.04531
21
0.00000
0.08105
-0.04468
22
0.00000
0.00360
-0.00331
23
0.00000
-0.00360
-0.00331
24
0.00000
-0.08105
-0.04469
25
0.00000
-0.00954
0.00060
26
0.00000
0.00953
0.00060
27
0.00000
-0.00179
-0.00549
28
0.00000
0.00178
-0.00549
29
0.00000
0.08495
-0.02431
30
0.00000
0.00080
0.01213
31
0.00000
-0.00079
0.01213
32
0.00000
-0.08495
-0.02431
33
0.00000
0.06305
-0.05785
34
0.00000
-0.03528
-0.02531
35
0.00000
0.03528
-0.02531
36
0.00000
-0.06304
-0.05785
37
0.00000
0.00449
-0.00177
38
0.00000
-0.01795
0.08879
39
0.00000
0.01796
0.08879
40
0.00000
-0.00449
-0.00177
41
0.00000
-0.00987
-0.00289
42
0.00000
0.00986
-0.00289