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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-0.02800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00003
0.00032
2
0.00000
0.00003
0.00032
3
0.00000
-0.00017
-0.00001
4
0.00000
-0.00007
-0.00005
5
0.00000
0.00007
-0.00005
6
0.00000
0.00017
-0.00001
7
0.00000
0.00002
-0.00018
8
0.00000
0.00052
-0.00003
9
0.00000
-0.00053
-0.00003
10
0.00000
-0.00002
-0.00017
11
0.00000
-0.00003
0.00007
12
0.00000
0.00062
-0.00098
13
0.00000
-0.00065
-0.00103
14
0.00000
0.00003
0.00007
15
0.00000
-0.00006
0.00241
16
0.00000
0.00006
0.00237
17
0.00000
0.04258
0.00024
18
0.00000
0.03693
-0.00063
19
0.00000
-0.03743
-0.00064
20
0.00000
-0.04203
0.00024
21
0.00000
-0.00442
0.00374
22
0.00000
-0.00959
0.01349
23
0.00000
0.00972
0.01368
24
0.00000
0.00437
0.00369
25
0.00000
0.00209
-0.00002
26
0.00000
-0.00206
-0.00002
27
0.00000
-0.00034
0.00038
28
0.00000
0.00034
0.00037
29
0.00000
-0.48282
-0.00219
30
0.00000
-0.42124
0.00147
31
0.00000
0.42694
0.00149
32
0.00000
0.47667
-0.00216
33
0.00000
0.03982
-0.06084
34
0.00000
0.10007
-0.16726
35
0.00000
-0.10146
-0.16958
36
0.00000
-0.03931
-0.06006
37
0.00000
0.00322
-0.00530
38
0.00000
-0.00668
0.01035
39
0.00000
0.00702
0.01092
40
0.00000
-0.00315
-0.00519
41
0.00000
-0.02309
0.00069
42
0.00000
0.02278
0.00068