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)
0.00000
Diff mu Z
(Debye)
-0.24200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00008
0.00002
2
0.00000
-0.00008
0.00002
3
0.00000
-0.00012
-0.00010
4
0.00000
-0.00008
-0.00006
5
0.00000
0.00008
-0.00006
6
0.00000
0.00012
-0.00010
7
0.00000
-0.00007
-0.00060
8
0.00000
-0.00002
0.00021
9
0.00000
0.00002
0.00021
10
0.00000
0.00007
-0.00060
11
0.00000
0.00035
0.00128
12
0.00000
-0.00057
0.00110
13
0.00000
0.00057
0.00110
14
0.00000
-0.00035
0.00128
15
0.00000
-0.00001
0.00033
16
0.00000
0.00001
0.00033
17
0.00000
0.00920
0.00063
18
0.00000
-0.00196
-0.00012
19
0.00000
0.00196
-0.00012
20
0.00000
-0.00920
0.00063
21
0.00000
0.01483
-0.02476
22
0.00000
-0.00052
0.00075
23
0.00000
0.00052
0.00075
24
0.00000
-0.01483
-0.02476
25
0.00000
0.04545
-0.00033
26
0.00000
-0.04545
-0.00033
27
0.00000
0.01001
-0.01753
28
0.00000
-0.01001
-0.01753
29
0.00000
-0.09783
-0.00008
30
0.00000
0.01996
-0.00018
31
0.00000
-0.01996
-0.00018
32
0.00000
0.09783
-0.00008
33
0.00000
-0.17643
0.29540
34
0.00000
0.00333
-0.00541
35
0.00000
-0.00333
-0.00541
36
0.00000
0.17643
0.29540
37
0.00000
-0.10957
0.18637
38
0.00000
0.00549
-0.00957
39
0.00000
-0.00549
-0.00957
40
0.00000
0.10957
0.18637
41
0.00000
-0.52951
0.00007
42
0.00000
0.52951
0.00007