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)
-2.46500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00872
-0.08962
2
0.00000
-0.00872
-0.08962
3
0.00000
0.05056
-0.00143
4
0.00000
0.02406
0.03763
5
0.00000
-0.02406
0.03763
6
0.00000
-0.05056
-0.00143
7
0.00000
-0.02184
0.08255
8
0.00000
-0.02911
0.03737
9
0.00000
0.02911
0.03737
10
0.00000
0.02184
0.08255
11
0.00000
-0.06109
-0.03362
12
0.00000
-0.02157
-0.01656
13
0.00000
0.02157
-0.01656
14
0.00000
0.06109
-0.03362
15
0.00000
0.00144
0.05527
16
0.00000
-0.00144
0.05527
17
0.00000
-0.00884
0.00514
18
0.00000
0.00503
0.00807
19
0.00000
-0.00503
0.00807
20
0.00000
0.00884
0.00514
21
0.00000
0.03562
-0.01868
22
0.00000
0.02725
-0.02537
23
0.00000
-0.02725
-0.02537
24
0.00000
-0.03562
-0.01868
25
0.00000
-0.00315
-0.03149
26
0.00000
0.00315
-0.03149
27
0.00000
0.01332
0.02195
28
0.00000
-0.01332
0.02195
29
0.00000
-0.00486
-0.17449
30
0.00000
0.00993
-0.14105
31
0.00000
-0.00993
-0.14105
32
0.00000
0.00486
-0.17449
33
0.00000
0.02606
-0.02383
34
0.00000
0.04188
-0.01829
35
0.00000
-0.04188
-0.01829
36
0.00000
-0.02606
-0.02383
37
0.00000
0.03443
0.03637
38
0.00000
-0.10302
-0.06176
39
0.00000
0.10302
-0.06176
40
0.00000
-0.03443
0.03637
41
0.00000
-0.00588
0.01126
42
0.00000
0.00588
0.01126