Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.14700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05504
0.08688
2
0.00000
-0.05504
-0.08688
3
0.00000
-0.00009
-0.09530
4
0.00000
0.02637
0.01881
5
0.00000
0.02637
-0.01881
6
0.00000
-0.00010
0.09530
7
0.00000
-0.00295
0.04121
8
0.00000
0.02074
0.04292
9
0.00000
0.02074
-0.04292
10
0.00000
-0.00295
-0.04121
11
0.00000
-0.00383
-0.02004
12
0.00000
-0.01812
-0.03635
13
0.00000
-0.01812
0.03635
14
0.00000
-0.00384
0.02005
15
0.00000
0.06613
-0.00512
16
0.00000
0.06612
0.00512
17
0.00000
-0.00175
0.00528
18
0.00000
-0.00714
0.02360
19
0.00000
-0.00714
-0.02360
20
0.00000
-0.00175
-0.00529
21
0.00000
-0.01711
-0.02044
22
0.00000
-0.03550
-0.02902
23
0.00000
-0.03551
0.02901
24
0.00000
-0.01710
0.02044
25
0.00000
0.00310
0.02789
26
0.00000
0.00310
-0.02790
27
0.00000
-0.00496
-0.02268
28
0.00000
-0.00496
0.02268
29
0.00000
-0.00020
0.06599
30
0.00000
-0.00561
0.07818
31
0.00000
-0.00562
-0.07820
32
0.00000
-0.00020
-0.06597
33
0.00000
0.12978
0.07161
34
0.00000
0.08840
0.04483
35
0.00000
0.08841
-0.04483
36
0.00000
0.12977
-0.07160
37
0.00000
0.05176
0.00775
38
0.00000
0.09415
0.02746
39
0.00000
0.09414
-0.02746
40
0.00000
0.05176
-0.00774
41
0.00000
0.00096
-0.11684
42
0.00000
0.00096
0.11686