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)
0.75800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06849
-0.01273
2
0.00000
0.06849
0.01273
3
0.00000
-0.02608
0.03187
4
0.00000
-0.03967
0.01238
5
0.00000
-0.03967
-0.01238
6
0.00000
-0.02608
-0.03187
7
0.00000
0.00982
0.01981
8
0.00000
-0.05873
-0.01622
9
0.00000
-0.05873
0.01622
10
0.00000
0.00982
-0.01981
11
0.00000
-0.00228
-0.05199
12
0.00000
0.01213
-0.00841
13
0.00000
0.01213
0.00841
14
0.00000
-0.00228
0.05199
15
0.00000
0.03526
-0.09829
16
0.00000
0.03526
0.09829
17
0.00000
-0.04334
0.02424
18
0.00000
0.01146
0.01293
19
0.00000
0.01146
-0.01293
20
0.00000
-0.04334
-0.02424
21
0.00000
-0.00205
0.00503
22
0.00000
0.02614
-0.05245
23
0.00000
0.02614
0.05245
24
0.00000
-0.00205
-0.00503
25
0.00000
-0.00328
-0.01063
26
0.00000
-0.00328
0.01063
27
0.00000
-0.00558
0.01807
28
0.00000
-0.00558
-0.01807
29
0.00000
-0.04854
0.23309
30
0.00000
0.01777
0.12008
31
0.00000
0.01777
-0.12008
32
0.00000
-0.04854
-0.23309
33
0.00000
0.08715
0.06092
34
0.00000
0.01654
-0.06274
35
0.00000
0.01654
0.06274
36
0.00000
0.08715
-0.06092
37
0.00000
0.07289
0.06566
38
0.00000
0.06833
0.02855
39
0.00000
0.06833
-0.02855
40
0.00000
0.07289
-0.06566
41
0.00000
-0.00356
0.03046
42
0.00000
-0.00356
-0.03046