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)
-0.62500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02139
0.03763
2
0.00000
-0.02139
-0.03763
3
0.00000
0.00291
-0.02491
4
0.00000
0.01299
0.03938
5
0.00000
0.01299
-0.03938
6
0.00000
0.00291
0.02491
7
0.00000
-0.00683
-0.00296
8
0.00000
-0.03189
-0.02879
9
0.00000
-0.03189
0.02879
10
0.00000
-0.00683
0.00296
11
0.00000
-0.00300
0.06109
12
0.00000
0.00918
0.01189
13
0.00000
0.00918
-0.01189
14
0.00000
-0.00300
-0.06109
15
0.00000
0.02208
-0.02223
16
0.00000
0.02208
0.02223
17
0.00000
-0.00629
0.00761
18
0.00000
-0.02074
-0.03691
19
0.00000
-0.02074
0.03691
20
0.00000
-0.00629
-0.00761
21
0.00000
0.00612
0.00243
22
0.00000
0.04628
0.03647
23
0.00000
0.04628
-0.03647
24
0.00000
0.00612
-0.00243
25
0.00000
-0.02037
-0.10973
26
0.00000
-0.02037
0.10973
27
0.00000
0.03856
0.07801
28
0.00000
0.03856
-0.07801
29
0.00000
-0.00595
-0.00663
30
0.00000
-0.02178
0.04209
31
0.00000
-0.02178
-0.04209
32
0.00000
-0.00595
0.00663
33
0.00000
-0.02916
-0.01777
34
0.00000
-0.08520
-0.03932
35
0.00000
-0.08520
0.03932
36
0.00000
-0.02916
0.01777
37
0.00000
-0.13846
-0.02068
38
0.00000
-0.02834
-0.01101
39
0.00000
-0.02834
0.01101
40
0.00000
-0.13846
0.02068
41
0.00000
-0.01971
0.16802
42
0.00000
-0.01971
-0.16802