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)
-0.95900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00020
0.00019
2
0.00000
0.00020
-0.00019
3
0.00000
0.00011
-0.00041
4
0.00000
0.00023
0.00005
5
0.00000
0.00023
-0.00005
6
0.00000
0.00011
0.00041
7
0.00000
0.00149
0.00062
8
0.00000
-0.00051
-0.00044
9
0.00000
-0.00051
0.00044
10
0.00000
0.00149
-0.00062
11
0.00000
-0.00071
0.00101
12
0.00000
0.00366
-0.00497
13
0.00000
0.00366
0.00497
14
0.00000
-0.00071
-0.00101
15
0.00000
0.00023
-0.00147
16
0.00000
0.00023
0.00147
17
0.00000
-0.00895
-0.00083
18
0.00000
0.02124
0.00037
19
0.00000
0.02124
-0.00037
20
0.00000
-0.00895
0.00083
21
0.00000
-0.02190
0.03704
22
0.00000
0.00843
-0.01570
23
0.00000
0.00843
0.01570
24
0.00000
-0.02190
-0.03704
25
0.00000
0.02495
0.00007
26
0.00000
0.02495
-0.00007
27
0.00000
0.00363
-0.00812
28
0.00000
0.00363
0.00812
29
0.00000
0.08396
0.00131
30
0.00000
-0.25008
-0.00120
31
0.00000
-0.25008
0.00120
32
0.00000
0.08396
-0.00131
33
0.00000
0.25735
-0.42431
34
0.00000
-0.10346
0.18085
35
0.00000
-0.10346
-0.18085
36
0.00000
0.25735
0.42431
37
0.00000
-0.04760
0.08367
38
0.00000
-0.03851
0.06675
39
0.00000
-0.03851
-0.06675
40
0.00000
-0.04760
-0.08367
41
0.00000
-0.28383
0.00457
42
0.00000
-0.28383
-0.00457