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)
-0.54300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00403
-0.02536
2
0.00000
0.00404
-0.02538
3
0.00000
0.06315
0.02446
4
0.00000
-0.05252
0.01403
5
0.00000
0.05252
0.01401
6
0.00000
-0.06315
0.02447
7
0.00000
-0.01214
-0.02414
8
0.00000
-0.03942
-0.03401
9
0.00000
0.03942
-0.03400
10
0.00000
0.01213
-0.02413
11
0.00000
0.06114
0.02308
12
0.00000
0.04719
0.01517
13
0.00000
-0.04719
0.01516
14
0.00000
-0.06114
0.02307
15
0.00000
-0.04767
0.03484
16
0.00000
0.04765
0.03484
17
0.00000
0.01940
-0.04122
18
0.00000
-0.03386
-0.01981
19
0.00000
0.03386
-0.01982
20
0.00000
-0.01940
-0.04123
21
0.00000
-0.01683
0.01035
22
0.00000
0.06949
0.03409
23
0.00000
-0.06948
0.03409
24
0.00000
0.01684
0.01035
25
0.00000
-0.01363
-0.04359
26
0.00000
0.01363
-0.04359
27
0.00000
0.00678
0.01612
28
0.00000
-0.00679
0.01613
29
0.00000
0.02159
0.08223
30
0.00000
-0.03841
0.02716
31
0.00000
0.03841
0.02720
32
0.00000
-0.02159
0.08228
33
0.00000
0.02651
0.03879
34
0.00000
-0.17806
-0.11361
35
0.00000
0.17805
-0.11360
36
0.00000
-0.02653
0.03881
37
0.00000
0.01070
0.02176
38
0.00000
-0.03353
-0.03618
39
0.00000
0.03351
-0.03618
40
0.00000
-0.01067
0.02175
41
0.00000
-0.00957
0.17043
42
0.00000
0.00957
0.17043