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)
-2.58800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00757
-0.01114
2
0.00000
-0.00757
0.01114
3
0.00000
-0.02906
-0.00802
4
0.00000
-0.02736
-0.01664
5
0.00000
-0.02736
0.01664
6
0.00000
-0.02906
0.00802
7
0.00000
0.07655
-0.01127
8
0.00000
0.05746
-0.02641
9
0.00000
0.05746
0.02641
10
0.00000
0.07655
0.01127
11
0.00000
-0.04081
0.02246
12
0.00000
0.00183
0.03583
13
0.00000
0.00183
-0.03583
14
0.00000
-0.04081
-0.02246
15
0.00000
0.09170
0.00042
16
0.00000
0.09170
-0.00042
17
0.00000
-0.03447
0.04778
18
0.00000
-0.03256
0.02749
19
0.00000
-0.03256
-0.02749
20
0.00000
-0.03447
-0.04778
21
0.00000
-0.01766
-0.00866
22
0.00000
-0.02177
0.00389
23
0.00000
-0.02177
-0.00389
24
0.00000
-0.01766
0.00866
25
0.00000
0.01444
0.01080
26
0.00000
0.01444
-0.01080
27
0.00000
0.01189
0.00331
28
0.00000
0.01189
-0.00331
29
0.00000
-0.03298
-0.00070
30
0.00000
-0.03197
0.10281
31
0.00000
-0.03197
-0.10281
32
0.00000
-0.03298
0.00070
33
0.00000
-0.16430
-0.09521
34
0.00000
-0.14630
-0.06631
35
0.00000
-0.14630
0.06631
36
0.00000
-0.16430
0.09521
37
0.00000
-0.06207
-0.04158
38
0.00000
-0.08363
-0.01988
39
0.00000
-0.08363
0.01988
40
0.00000
-0.06207
0.04158
41
0.00000
0.01398
-0.20970
42
0.00000
0.01398
0.20970