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)
-1073.90487
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)
-1.17600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01865
-0.00254
2
0.00000
-0.01865
0.00254
3
0.00000
-0.01905
0.04948
4
0.00000
0.02631
0.03591
5
0.00000
0.02631
-0.03591
6
0.00000
-0.01905
-0.04948
7
0.00000
0.07799
0.02551
8
0.00000
-0.04103
0.00393
9
0.00000
-0.04103
-0.00393
10
0.00000
0.07799
-0.02551
11
0.00000
-0.01287
-0.10025
12
0.00000
0.00034
-0.01986
13
0.00000
0.00034
0.01986
14
0.00000
-0.01287
0.10025
15
0.00000
-0.00416
0.03296
16
0.00000
-0.00416
-0.03296
17
0.00000
0.00698
0.01283
18
0.00000
0.00205
-0.01569
19
0.00000
0.00205
0.01569
20
0.00000
0.00698
-0.01283
21
0.00000
-0.01862
-0.01663
22
0.00000
0.00250
0.00362
23
0.00000
0.00250
-0.00362
24
0.00000
-0.01862
0.01663
25
0.00000
0.00437
-0.00515
26
0.00000
0.00437
0.00515
27
0.00000
-0.01479
0.02172
28
0.00000
-0.01479
-0.02172
29
0.00000
0.00917
-0.14781
30
0.00000
0.00076
0.14940
31
0.00000
0.00076
-0.14940
32
0.00000
0.00917
0.14781
33
0.00000
-0.14626
-0.09068
34
0.00000
0.13953
0.08282
35
0.00000
0.13953
-0.08282
36
0.00000
-0.14626
0.09068
37
0.00000
0.02661
0.04723
38
0.00000
0.06895
0.02135
39
0.00000
0.06895
-0.02135
40
0.00000
0.02661
-0.04723
41
0.00000
0.00397
0.25428
42
0.00000
0.00397
-0.25428