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)
0.18000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00801
-0.00521
2
0.00000
0.00801
0.00521
3
0.00000
0.03271
-0.00184
4
0.00000
-0.05056
0.03723
5
0.00000
-0.05056
-0.03723
6
0.00000
0.03271
0.00184
7
0.00000
0.02447
0.00756
8
0.00000
-0.03404
0.08054
9
0.00000
-0.03404
-0.08054
10
0.00000
0.02447
-0.00756
11
0.00000
-0.04689
0.03024
12
0.00000
0.04059
0.05501
13
0.00000
0.04059
-0.05501
14
0.00000
-0.04689
-0.03024
15
0.00000
0.01945
0.01586
16
0.00000
0.01945
-0.01586
17
0.00000
0.03702
0.02800
18
0.00000
0.01706
-0.01352
19
0.00000
0.01706
0.01352
20
0.00000
0.03702
-0.02800
21
0.00000
0.04013
0.01845
22
0.00000
-0.04062
0.03382
23
0.00000
-0.04062
-0.03382
24
0.00000
0.04013
-0.01845
25
0.00000
-0.04857
0.05742
26
0.00000
-0.04857
-0.05742
27
0.00000
-0.00930
0.04012
28
0.00000
-0.00930
-0.04012
29
0.00000
0.03771
0.04106
30
0.00000
0.01700
-0.04377
31
0.00000
0.01700
0.04377
32
0.00000
0.03771
-0.04106
33
0.00000
0.05363
0.02599
34
0.00000
-0.10181
-0.00191
35
0.00000
-0.10181
0.00191
36
0.00000
0.05363
-0.02599
37
0.00000
0.04254
0.07070
38
0.00000
0.12523
0.10298
39
0.00000
0.12523
-0.10298
40
0.00000
0.04254
-0.07070
41
0.00000
-0.04863
0.07880
42
0.00000
-0.04863
-0.07880