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)
-0.17400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00957
0.01899
2
0.00000
0.00957
-0.01899
3
0.00000
-0.00677
0.00681
4
0.00000
-0.01969
-0.02414
5
0.00000
-0.01969
0.02414
6
0.00000
-0.00677
-0.00681
7
0.00000
-0.02208
-0.00886
8
0.00000
-0.01558
-0.02982
9
0.00000
-0.01558
0.02982
10
0.00000
-0.02208
0.00886
11
0.00000
-0.06827
-0.03511
12
0.00000
0.03822
-0.05744
13
0.00000
0.03822
0.05744
14
0.00000
-0.06827
0.03511
15
0.00000
0.02762
-0.00571
16
0.00000
0.02762
0.00571
17
0.00000
0.06802
0.02606
18
0.00000
-0.00675
0.02427
19
0.00000
-0.00675
-0.02427
20
0.00000
0.06801
-0.02606
21
0.00000
0.00406
0.05478
22
0.00000
-0.03767
0.05177
23
0.00000
-0.03767
-0.05176
24
0.00000
0.00405
-0.05478
25
0.00000
-0.02328
-0.03998
26
0.00000
-0.02328
0.03998
27
0.00000
0.05068
-0.07885
28
0.00000
0.05068
0.07885
29
0.00000
0.06852
0.01619
30
0.00000
-0.00739
-0.02345
31
0.00000
-0.00739
0.02345
32
0.00000
0.06852
-0.01619
33
0.00000
0.00071
0.05039
34
0.00000
-0.01531
0.06510
35
0.00000
-0.01531
-0.06510
36
0.00000
0.00071
-0.05040
37
0.00000
-0.00355
-0.10992
38
0.00000
0.00042
-0.07905
39
0.00000
0.00042
0.07905
40
0.00000
-0.00355
0.10992
41
0.00000
-0.02042
0.06823
42
0.00000
-0.02042
-0.06823