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)
0.16500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01244
-0.02157
2
0.00000
0.01244
0.02157
3
0.00000
0.01958
0.01818
4
0.00000
-0.00246
0.04475
5
0.00000
-0.00246
-0.04475
6
0.00000
0.01958
-0.01818
7
0.00000
-0.02580
0.04311
8
0.00000
-0.00285
0.03011
9
0.00000
-0.00285
-0.03011
10
0.00000
-0.02580
-0.04311
11
0.00000
-0.07322
0.01545
12
0.00000
0.00403
-0.04167
13
0.00000
0.00403
0.04167
14
0.00000
-0.07322
-0.01545
15
0.00000
-0.01557
0.00124
16
0.00000
-0.01557
-0.00124
17
0.00000
0.00073
0.00386
18
0.00000
0.00728
0.00436
19
0.00000
0.00728
-0.00436
20
0.00000
0.00073
-0.00386
21
0.00000
0.02426
-0.02299
22
0.00000
0.00290
-0.01609
23
0.00000
0.00290
0.01609
24
0.00000
0.02427
0.02299
25
0.00000
0.10596
0.02461
26
0.00000
0.10596
-0.02461
27
0.00000
-0.03849
-0.01846
28
0.00000
-0.03849
0.01846
29
0.00000
0.00105
0.10146
30
0.00000
0.00857
0.08243
31
0.00000
0.00857
-0.08244
32
0.00000
0.00105
-0.10146
33
0.00000
0.03311
-0.01709
34
0.00000
-0.05882
-0.05362
35
0.00000
-0.05882
0.05362
36
0.00000
0.03311
0.01709
37
0.00000
-0.25608
-0.15029
38
0.00000
-0.06365
-0.08419
39
0.00000
-0.06365
0.08419
40
0.00000
-0.25608
0.15029
41
0.00000
0.11209
0.08966
42
0.00000
0.11209
-0.08967