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)
0.98700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01258
-0.01410
2
0.00000
0.01258
-0.01411
3
0.00000
0.02821
0.01040
4
0.00000
-0.05856
0.02081
5
0.00000
0.05856
0.02080
6
0.00000
-0.02821
0.01041
7
0.00000
-0.01754
-0.00644
8
0.00000
0.00832
-0.03810
9
0.00000
-0.00831
-0.03810
10
0.00000
0.01754
-0.00645
11
0.00000
-0.05927
-0.01833
12
0.00000
0.05345
0.01448
13
0.00000
-0.05346
0.01448
14
0.00000
0.05927
-0.01832
15
0.00000
-0.00664
-0.00044
16
0.00000
0.00664
-0.00044
17
0.00000
-0.01191
0.04687
18
0.00000
-0.01403
-0.05602
19
0.00000
0.01403
-0.05602
20
0.00000
0.01191
0.04687
21
0.00000
0.04394
0.00230
22
0.00000
0.01403
0.03891
23
0.00000
-0.01404
0.03892
24
0.00000
-0.04394
0.00230
25
0.00000
0.01608
0.06368
26
0.00000
-0.01609
0.06368
27
0.00000
-0.00592
-0.02559
28
0.00000
0.00593
-0.02560
29
0.00000
-0.01349
-0.19828
30
0.00000
-0.01530
0.16519
31
0.00000
0.01530
0.16520
32
0.00000
0.01349
-0.19827
33
0.00000
-0.13255
-0.11205
34
0.00000
-0.07496
-0.00899
35
0.00000
0.07496
-0.00899
36
0.00000
0.13257
-0.11206
37
0.00000
-0.03106
-0.04597
38
0.00000
-0.01033
-0.02844
39
0.00000
0.01034
-0.02845
40
0.00000
0.03101
-0.04594
41
0.00000
0.01015
-0.22911
42
0.00000
-0.01016
-0.22908