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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.79200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00010
0.00001
2
0.00000
0.00010
0.00001
3
0.00000
-0.00006
0.00007
4
0.00000
0.00002
-0.00003
5
0.00000
-0.00002
-0.00003
6
0.00000
0.00006
0.00007
7
0.00000
-0.00048
-0.00010
8
0.00000
0.00007
-0.00004
9
0.00000
-0.00007
-0.00004
10
0.00000
0.00048
-0.00010
11
0.00000
-0.00027
-0.00034
12
0.00000
-0.00174
0.00265
13
0.00000
0.00174
0.00265
14
0.00000
0.00027
-0.00034
15
0.00000
-0.00012
0.00017
16
0.00000
0.00012
0.00017
17
0.00000
0.00770
0.00040
18
0.00000
-0.00444
-0.00027
19
0.00000
0.00444
-0.00027
20
0.00000
-0.00770
0.00040
21
0.00000
0.00462
-0.00844
22
0.00000
-0.00182
0.00371
23
0.00000
0.00182
0.00371
24
0.00000
-0.00462
-0.00844
25
0.00000
-0.02542
0.00252
26
0.00000
0.02542
0.00252
27
0.00000
0.02718
-0.04324
28
0.00000
-0.02718
-0.04324
29
0.00000
-0.08467
-0.00051
30
0.00000
0.04944
0.00014
31
0.00000
-0.04946
0.00014
32
0.00000
0.08467
-0.00051
33
0.00000
-0.05490
0.08992
34
0.00000
0.02256
-0.04022
35
0.00000
-0.02258
-0.04025
36
0.00000
0.05490
0.08992
37
0.00000
-0.29340
0.49813
38
0.00000
0.01788
-0.03066
39
0.00000
-0.01788
-0.03067
40
0.00000
0.29340
0.49814
41
0.00000
0.31074
-0.00553
42
0.00000
-0.31074
-0.00553