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)
0.00000
Diff mu Z
(Debye)
1.25500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00955
-0.02713
2
0.00000
-0.00955
-0.02713
3
0.00000
-0.00745
0.01109
4
0.00000
-0.00269
-0.02061
5
0.00000
0.00269
-0.02061
6
0.00000
0.00745
0.01109
7
0.00000
-0.02783
0.01371
8
0.00000
0.01469
0.04766
9
0.00000
-0.01469
0.04766
10
0.00000
0.02783
0.01371
11
0.00000
-0.01294
-0.00804
12
0.00000
0.05832
-0.02008
13
0.00000
-0.05832
-0.02008
14
0.00000
0.01294
-0.00804
15
0.00000
-0.01195
-0.01516
16
0.00000
0.01195
-0.01516
17
0.00000
-0.00030
0.01057
18
0.00000
-0.04158
-0.02412
19
0.00000
0.04158
-0.02412
20
0.00000
0.00030
0.01057
21
0.00000
0.01440
-0.01240
22
0.00000
0.02586
0.01769
23
0.00000
-0.02586
0.01769
24
0.00000
-0.01440
-0.01240
25
0.00000
-0.00245
-0.00474
26
0.00000
0.00245
-0.00474
27
0.00000
0.00846
0.00546
28
0.00000
-0.00846
0.00546
29
0.00000
-0.00116
0.16607
30
0.00000
-0.04424
-0.13823
31
0.00000
0.04424
-0.13823
32
0.00000
0.00116
0.16607
33
0.00000
-0.01280
-0.03093
34
0.00000
0.15340
0.09352
35
0.00000
-0.15340
0.09352
36
0.00000
0.01280
-0.03093
37
0.00000
0.04996
0.02989
38
0.00000
0.45846
0.20759
39
0.00000
-0.45846
0.20759
40
0.00000
-0.04996
0.02989
41
0.00000
-0.00362
-0.01742
42
0.00000
0.00362
-0.01742