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)
-0.17200
Eigenvectors
#
X
Y
Z
1
0.00000
0.02025
-0.01708
2
0.00000
-0.02025
-0.01709
3
0.00000
0.00410
0.01159
4
0.00000
-0.00316
-0.03588
5
0.00000
0.00316
-0.03588
6
0.00000
-0.00410
0.01159
7
0.00000
0.01172
0.03558
8
0.00000
-0.00968
-0.04867
9
0.00000
0.00968
-0.04867
10
0.00000
-0.01172
0.03557
11
0.00000
-0.00254
0.07070
12
0.00000
-0.00040
-0.05954
13
0.00000
0.00040
-0.05954
14
0.00000
0.00253
0.07070
15
0.00000
0.02644
-0.03002
16
0.00000
-0.02644
-0.03002
17
0.00000
0.03375
-0.02459
18
0.00000
-0.02580
-0.03727
19
0.00000
0.02580
-0.03727
20
0.00000
-0.03375
-0.02459
21
0.00000
0.01468
-0.00515
22
0.00000
-0.01098
-0.04536
23
0.00000
0.01098
-0.04536
24
0.00000
-0.01469
-0.00515
25
0.00000
0.00205
0.08742
26
0.00000
-0.00205
0.08741
27
0.00000
-0.00121
0.09762
28
0.00000
0.00121
0.09761
29
0.00000
0.03352
-0.02776
30
0.00000
-0.02569
-0.03092
31
0.00000
0.02569
-0.03092
32
0.00000
-0.03352
-0.02776
33
0.00000
-0.00854
-0.01850
34
0.00000
-0.00231
-0.04040
35
0.00000
0.00232
-0.04039
36
0.00000
0.00853
-0.01850
37
0.00000
-0.00616
0.09539
38
0.00000
0.00752
-0.05516
39
0.00000
-0.00752
-0.05516
40
0.00000
0.00617
0.09538
41
0.00000
0.00017
0.08538
42
0.00000
-0.00017
0.08536