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)
0.00000
Diff mu Z
(Debye)
0.35900
Eigenvectors
#
X
Y
Z
1
0.00000
0.03666
-0.09045
2
0.00000
-0.03666
-0.09045
3
0.00000
0.06600
0.04232
4
0.00000
0.05234
0.06849
5
0.00000
-0.05234
0.06849
6
0.00000
-0.06600
0.04232
7
0.00000
-0.02320
-0.01532
8
0.00000
0.02331
-0.03388
9
0.00000
-0.02331
-0.03388
10
0.00000
0.02320
-0.01532
11
0.00000
0.01181
0.00304
12
0.00000
-0.01695
0.00596
13
0.00000
0.01695
0.00596
14
0.00000
-0.01181
0.00304
15
0.00000
-0.05043
0.00455
16
0.00000
0.05043
0.00455
17
0.00000
0.01862
0.00705
18
0.00000
0.01060
0.05689
19
0.00000
-0.01060
0.05689
20
0.00000
-0.01862
0.00705
21
0.00000
-0.00595
-0.01094
22
0.00000
-0.04286
-0.04106
23
0.00000
0.04286
-0.04106
24
0.00000
0.00595
-0.01094
25
0.00000
0.01068
0.03382
26
0.00000
-0.01068
0.03382
27
0.00000
-0.02289
-0.02050
28
0.00000
0.02289
-0.02050
29
0.00000
0.02097
-0.09901
30
0.00000
0.01352
-0.03679
31
0.00000
-0.01352
-0.03679
32
0.00000
-0.02097
-0.09901
33
0.00000
0.06543
0.03107
34
0.00000
0.04469
0.00602
35
0.00000
-0.04469
0.00602
36
0.00000
-0.06543
0.03107
37
0.00000
0.01323
-0.00057
38
0.00000
0.09041
0.07159
39
0.00000
-0.09041
0.07159
40
0.00000
-0.01323
-0.00057
41
0.00000
0.00978
-0.09115
42
0.00000
-0.00978
-0.09115