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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.10000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04203
0.00312
2
0.00000
-0.04203
-0.00312
3
0.00000
0.00843
-0.01905
4
0.00000
0.02710
-0.04266
5
0.00000
0.02710
0.04266
6
0.00000
0.00843
0.01905
7
0.00000
0.04024
-0.00909
8
0.00000
-0.00241
-0.01746
9
0.00000
-0.00241
0.01746
10
0.00000
0.04024
0.00909
11
0.00000
-0.00167
0.01916
12
0.00000
-0.00010
0.01465
13
0.00000
-0.00010
-0.01465
14
0.00000
-0.00167
-0.01916
15
0.00000
-0.01985
-0.03578
16
0.00000
-0.01985
0.03578
17
0.00000
-0.00482
-0.02887
18
0.00000
0.03342
0.00951
19
0.00000
0.03342
-0.00951
20
0.00000
-0.00482
0.02886
21
0.00000
-0.00916
0.04651
22
0.00000
-0.01962
-0.01590
23
0.00000
-0.01962
0.01590
24
0.00000
-0.00916
-0.04651
25
0.00000
0.02043
0.03208
26
0.00000
0.02043
-0.03209
27
0.00000
-0.01477
-0.01998
28
0.00000
-0.01477
0.01998
29
0.00000
-0.00668
-0.27693
30
0.00000
0.03567
0.10508
31
0.00000
0.03567
-0.10509
32
0.00000
-0.00668
0.27692
33
0.00000
0.12803
0.13426
34
0.00000
-0.23012
-0.13722
35
0.00000
-0.23013
0.13722
36
0.00000
0.12803
-0.13426
37
0.00000
-0.19199
-0.12475
38
0.00000
0.05924
0.04931
39
0.00000
0.05923
-0.04930
40
0.00000
-0.19199
0.12475
41
0.00000
0.02489
0.22537
42
0.00000
0.02489
-0.22537