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)
0.00000
Diff mu Z
(Debye)
-0.24900
Eigenvectors
#
X
Y
Z
1
0.00000
0.02123
-0.03348
2
0.00000
-0.02123
-0.03348
3
0.00000
0.00315
0.03972
4
0.00000
-0.00398
-0.08871
5
0.00000
0.00399
-0.08871
6
0.00000
-0.00315
0.03972
7
0.00000
0.02706
0.07642
8
0.00000
-0.00100
-0.02495
9
0.00000
0.00100
-0.02495
10
0.00000
-0.02706
0.07642
11
0.00000
0.03606
0.05256
12
0.00000
-0.00807
0.04966
13
0.00000
0.00807
0.04966
14
0.00000
-0.03606
0.05256
15
0.00000
-0.01991
-0.00197
16
0.00000
0.01991
-0.00197
17
0.00000
-0.05975
-0.00948
18
0.00000
-0.00365
-0.00018
19
0.00000
0.00366
-0.00018
20
0.00000
0.05975
-0.00948
21
0.00000
0.02281
-0.03154
22
0.00000
-0.03360
0.03972
23
0.00000
0.03359
0.03972
24
0.00000
-0.02281
-0.03154
25
0.00000
0.05917
-0.01447
26
0.00000
-0.05917
-0.01447
27
0.00000
0.01651
-0.04214
28
0.00000
-0.01651
-0.04215
29
0.00000
-0.06301
0.04291
30
0.00000
-0.00510
-0.08006
31
0.00000
0.00510
-0.08006
32
0.00000
0.06301
0.04291
33
0.00000
0.00491
-0.04111
34
0.00000
-0.02408
0.04846
35
0.00000
0.02408
0.04846
36
0.00000
-0.00490
-0.04112
37
0.00000
-0.00051
-0.05779
38
0.00000
-0.06302
0.02160
39
0.00000
0.06302
0.02160
40
0.00000
0.00051
-0.05779
41
0.00000
0.06295
-0.06676
42
0.00000
-0.06295
-0.06676