Charge: 1
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+1
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.75800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00908
-0.02594
2
0.00000
0.00908
0.02594
3
0.00000
-0.01320
0.00371
4
0.00000
0.00996
-0.01195
5
0.00000
0.00996
0.01195
6
0.00000
-0.01320
-0.00371
7
0.00000
0.05562
0.01025
8
0.00000
-0.05678
-0.01085
9
0.00000
-0.05678
0.01085
10
0.00000
0.05562
-0.01025
11
0.00000
-0.01498
0.00609
12
0.00000
0.02146
0.01873
13
0.00000
0.02146
-0.01873
14
0.00000
-0.01498
-0.00609
15
0.00000
-0.01051
0.08599
16
0.00000
-0.01051
-0.08599
17
0.00000
0.02264
-0.06532
18
0.00000
-0.01295
0.06095
19
0.00000
-0.01295
-0.06095
20
0.00000
0.02264
0.06532
21
0.00000
-0.05878
-0.00019
22
0.00000
0.04559
-0.00333
23
0.00000
0.04559
0.00333
24
0.00000
-0.05878
0.00019
25
0.00000
-0.00632
-0.02637
26
0.00000
-0.00632
0.02637
27
0.00000
0.01544
0.02722
28
0.00000
0.01544
-0.02722
29
0.00000
0.02665
0.17335
30
0.00000
-0.01795
-0.16757
31
0.00000
-0.01795
0.16757
32
0.00000
0.02665
-0.17335
33
0.00000
0.12915
0.11871
34
0.00000
-0.07587
-0.07856
35
0.00000
-0.07587
0.07856
36
0.00000
0.12915
-0.11871
37
0.00000
-0.05455
-0.01093
38
0.00000
-0.07743
-0.03540
39
0.00000
-0.07743
0.03540
40
0.00000
-0.05455
0.01093
41
0.00000
-0.00457
-0.01468
42
0.00000
-0.00457
0.01468