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)
-0.16600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00569
0.01133
2
0.00000
-0.00569
-0.01133
3
0.00000
0.07381
-0.02117
4
0.00000
-0.08709
-0.00449
5
0.00000
-0.08709
0.00449
6
0.00000
0.07381
0.02117
7
0.00000
-0.02617
-0.04670
8
0.00000
0.01517
0.00052
9
0.00000
0.01517
-0.00052
10
0.00000
-0.02617
0.04670
11
0.00000
-0.00931
-0.02450
12
0.00000
-0.00833
0.01503
13
0.00000
-0.00833
-0.01503
14
0.00000
-0.00931
0.02450
15
0.00000
0.00652
-0.00447
16
0.00000
0.00652
0.00447
17
0.00000
0.06113
-0.01285
18
0.00000
-0.04205
0.02051
19
0.00000
-0.04205
-0.02051
20
0.00000
0.06113
0.01285
21
0.00000
-0.05078
0.05242
22
0.00000
0.05265
-0.04208
23
0.00000
0.05265
0.04208
24
0.00000
-0.05078
-0.05242
25
0.00000
0.03564
0.00174
26
0.00000
0.03564
-0.00174
27
0.00000
-0.02162
0.04241
28
0.00000
-0.02162
-0.04241
29
0.00000
0.06021
-0.10755
30
0.00000
-0.04219
0.10002
31
0.00000
-0.04219
-0.10002
32
0.00000
0.06021
0.10755
33
0.00000
-0.07560
0.03489
34
0.00000
0.11473
-0.00513
35
0.00000
0.11473
0.00513
36
0.00000
-0.07560
-0.03489
37
0.00000
-0.00123
0.05295
38
0.00000
-0.01800
0.01105
39
0.00000
-0.01800
-0.01105
40
0.00000
-0.00123
-0.05295
41
0.00000
0.03504
-0.01925
42
0.00000
0.03504
0.01925