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)
-1.35000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01584
0.01977
2
0.00000
-0.01584
-0.01977
3
0.00000
-0.01732
-0.02464
4
0.00000
0.00438
-0.04879
5
0.00000
0.00438
0.04879
6
0.00000
-0.01732
0.02464
7
0.00000
0.02854
-0.04306
8
0.00000
-0.00046
-0.03154
9
0.00000
-0.00046
0.03154
10
0.00000
0.02854
0.04306
11
0.00000
0.07631
-0.01482
12
0.00000
-0.00394
0.04097
13
0.00000
-0.00394
-0.04097
14
0.00000
0.07631
0.01482
15
0.00000
0.01584
-0.00569
16
0.00000
0.01584
0.00569
17
0.00000
-0.00438
-0.00213
18
0.00000
-0.00755
-0.00487
19
0.00000
-0.00755
0.00487
20
0.00000
-0.00438
0.00213
21
0.00000
-0.02700
0.02242
22
0.00000
-0.00489
0.01630
23
0.00000
-0.00489
-0.01630
24
0.00000
-0.02700
-0.02242
25
0.00000
-0.09958
-0.01374
26
0.00000
-0.09958
0.01374
27
0.00000
0.02957
0.00759
28
0.00000
0.02957
-0.00759
29
0.00000
-0.00381
-0.12230
30
0.00000
-0.00645
-0.10764
31
0.00000
-0.00645
0.10764
32
0.00000
-0.00381
0.12230
33
0.00000
-0.01326
0.02651
34
0.00000
0.08251
0.06511
35
0.00000
0.08251
-0.06511
36
0.00000
-0.01326
-0.02651
37
0.00000
0.26306
0.14543
38
0.00000
0.09138
0.09657
39
0.00000
0.09138
-0.09657
40
0.00000
0.26306
-0.14543
41
0.00000
-0.10004
-0.05141
42
0.00000
-0.10004
0.05141