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)
0.26500
Eigenvectors
#
X
Y
Z
1
0.00000
0.01389
0.00319
2
0.00000
-0.01389
0.00319
3
0.00000
-0.00963
-0.00679
4
0.00000
-0.05405
0.02047
5
0.00000
0.05405
0.02047
6
0.00000
0.00963
-0.00679
7
0.00000
-0.02962
-0.00736
8
0.00000
-0.11711
-0.07028
9
0.00000
0.11711
-0.07028
10
0.00000
0.02962
-0.00736
11
0.00000
-0.00546
0.02472
12
0.00000
-0.02379
0.04466
13
0.00000
0.02379
0.04466
14
0.00000
0.00546
0.02472
15
0.00000
0.00416
0.00822
16
0.00000
-0.00416
0.00822
17
0.00000
-0.00186
0.00023
18
0.00000
0.03856
0.00020
19
0.00000
-0.03856
0.00020
20
0.00000
0.00186
0.00023
21
0.00000
0.01061
-0.00684
22
0.00000
0.02416
-0.02743
23
0.00000
-0.02416
-0.02743
24
0.00000
-0.01061
-0.00684
25
0.00000
0.00408
-0.01083
26
0.00000
-0.00408
-0.01083
27
0.00000
0.00416
0.00171
28
0.00000
-0.00416
0.00171
29
0.00000
-0.00023
0.03550
30
0.00000
0.04106
0.09785
31
0.00000
-0.04106
0.09785
32
0.00000
0.00023
0.03550
33
0.00000
0.06966
0.02820
34
0.00000
0.29902
0.12138
35
0.00000
-0.29902
0.12138
36
0.00000
-0.06966
0.02820
37
0.00000
-0.01061
-0.00774
38
0.00000
0.06000
0.10684
39
0.00000
-0.06000
0.10684
40
0.00000
0.01061
-0.00774
41
0.00000
0.00405
-0.07097
42
0.00000
-0.00405
-0.07097