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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.23300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00015
0.00016
2
0.00000
0.00015
-0.00016
3
0.00000
-0.00001
-0.00019
4
0.00000
0.00028
-0.00004
5
0.00000
0.00028
0.00004
6
0.00000
-0.00001
0.00019
7
0.00000
0.00034
0.00043
8
0.00000
0.00080
-0.00069
9
0.00000
0.00080
0.00069
10
0.00000
0.00034
-0.00043
11
0.00000
-0.00005
-0.00014
12
0.00000
0.01803
-0.02971
13
0.00000
0.01803
0.02971
14
0.00000
-0.00005
0.00014
15
0.00000
-0.00014
0.00150
16
0.00000
-0.00014
-0.00150
17
0.00000
0.01006
0.00021
18
0.00000
-0.03853
-0.00091
19
0.00000
-0.03853
0.00091
20
0.00000
0.01006
-0.00021
21
0.00000
-0.00362
0.00452
22
0.00000
0.00975
-0.01500
23
0.00000
0.00975
0.01500
24
0.00000
-0.00362
-0.00452
25
0.00000
0.00306
0.00006
26
0.00000
0.00306
-0.00006
27
0.00000
-0.00189
0.00310
28
0.00000
-0.00189
-0.00310
29
0.00000
-0.11853
-0.00130
30
0.00000
0.44747
0.00152
31
0.00000
0.44747
-0.00152
32
0.00000
-0.11853
0.00130
33
0.00000
0.03716
-0.06101
34
0.00000
-0.11851
0.20221
35
0.00000
-0.11851
-0.20221
36
0.00000
0.03716
0.06101
37
0.00000
0.02312
-0.03892
38
0.00000
-0.21361
0.36746
39
0.00000
-0.21361
-0.36746
40
0.00000
0.02312
0.03892
41
0.00000
-0.03604
0.00097
42
0.00000
-0.03604
-0.00097