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)
0.00000
Diff mu Z
(Debye)
-0.05800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01558
0.00700
2
0.00000
0.01558
0.00700
3
0.00000
-0.01720
0.02303
4
0.00000
0.00592
-0.02573
5
0.00000
-0.00592
-0.02573
6
0.00000
0.01720
0.02302
7
0.00000
-0.05923
0.01443
8
0.00000
-0.01230
-0.05659
9
0.00000
0.01230
-0.05659
10
0.00000
0.05922
0.01443
11
0.00000
-0.00822
-0.01220
12
0.00000
0.00272
-0.09569
13
0.00000
-0.00273
-0.09569
14
0.00000
0.00822
-0.01220
15
0.00000
-0.02930
0.04339
16
0.00000
0.02930
0.04339
17
0.00000
-0.07891
0.04078
18
0.00000
-0.01487
0.02066
19
0.00000
0.01487
0.02066
20
0.00000
0.07891
0.04078
21
0.00000
-0.08631
0.04774
22
0.00000
-0.01112
0.00675
23
0.00000
0.01112
0.00675
24
0.00000
0.08631
0.04774
25
0.00000
0.00601
-0.00656
26
0.00000
-0.00601
-0.00656
27
0.00000
0.00128
-0.00595
28
0.00000
-0.00128
-0.00595
29
0.00000
-0.07960
0.00876
30
0.00000
-0.01390
-0.00915
31
0.00000
0.01390
-0.00916
32
0.00000
0.07959
0.00876
33
0.00000
-0.07386
0.05658
34
0.00000
0.03040
0.02918
35
0.00000
-0.03039
0.02918
36
0.00000
0.07386
0.05658
37
0.00000
-0.00165
-0.00777
38
0.00000
0.02068
-0.08644
39
0.00000
-0.02068
-0.08644
40
0.00000
0.00165
-0.00777
41
0.00000
0.00640
-0.00353
42
0.00000
-0.00640
-0.00353