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)
-0.41700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00032
0.00003
2
0.00000
-0.00032
0.00003
3
0.00000
0.00013
0.00009
4
0.00000
0.00010
-0.00005
5
0.00000
-0.00010
-0.00005
6
0.00000
-0.00013
0.00009
7
0.00000
0.00037
-0.00007
8
0.00000
0.00194
0.00169
9
0.00000
-0.00194
0.00169
10
0.00000
-0.00037
-0.00007
11
0.00000
-0.00012
0.00032
12
0.00000
0.02688
-0.03934
13
0.00000
-0.02688
-0.03934
14
0.00000
0.00012
0.00032
15
0.00000
-0.00030
-0.00060
16
0.00000
0.00030
-0.00060
17
0.00000
0.01219
0.00043
18
0.00000
-0.02797
-0.00121
19
0.00000
0.02797
-0.00121
20
0.00000
-0.01219
0.00043
21
0.00000
-0.00415
0.00650
22
0.00000
-0.00712
0.01328
23
0.00000
0.00712
0.01328
24
0.00000
0.00415
0.00650
25
0.00000
0.00976
-0.00052
26
0.00000
-0.00976
-0.00052
27
0.00000
-0.00344
0.00491
28
0.00000
0.00344
0.00491
29
0.00000
-0.14492
-0.00100
30
0.00000
0.31848
0.00054
31
0.00000
-0.31848
0.00054
32
0.00000
0.14492
-0.00100
33
0.00000
0.04842
-0.07706
34
0.00000
0.08058
-0.14315
35
0.00000
-0.08058
-0.14315
36
0.00000
-0.04842
-0.07706
37
0.00000
0.03627
-0.06098
38
0.00000
-0.26895
0.45324
39
0.00000
0.26895
0.45324
40
0.00000
-0.03627
-0.06098
41
0.00000
-0.11141
0.00157
42
0.00000
0.11141
0.00157