Charge: 1
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+1
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)
0.00000
Diff mu Z
(Debye)
0.11000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05077
-0.02786
2
0.00000
0.05077
-0.02786
3
0.00000
-0.01037
-0.03568
4
0.00000
0.02101
-0.02271
5
0.00000
-0.02101
-0.02271
6
0.00000
0.01037
-0.03568
7
0.00000
0.00828
-0.01115
8
0.00000
0.05895
-0.00954
9
0.00000
-0.05895
-0.00954
10
0.00000
-0.00828
-0.01115
11
0.00000
0.00019
0.01663
12
0.00000
0.00699
0.01424
13
0.00000
-0.00699
0.01424
14
0.00000
-0.00019
0.01663
15
0.00000
-0.07656
-0.01124
16
0.00000
0.07656
-0.01124
17
0.00000
-0.03684
0.01749
18
0.00000
0.10398
-0.01069
19
0.00000
-0.10398
-0.01069
20
0.00000
0.03684
0.01749
21
0.00000
0.00713
-0.00049
22
0.00000
0.08582
-0.00869
23
0.00000
-0.08582
-0.00869
24
0.00000
-0.00713
-0.00049
25
0.00000
0.00818
0.03358
26
0.00000
-0.00818
0.03358
27
0.00000
0.00010
0.04555
28
0.00000
-0.00010
0.04555
29
0.00000
-0.03775
0.06461
30
0.00000
0.10487
-0.00939
31
0.00000
-0.10487
-0.00939
32
0.00000
0.03775
0.06461
33
0.00000
0.02877
0.01368
34
0.00000
0.07802
-0.01430
35
0.00000
-0.07802
-0.01430
36
0.00000
-0.02877
0.01368
37
0.00000
-0.00836
0.04102
38
0.00000
-0.02763
-0.00717
39
0.00000
0.02763
-0.00717
40
0.00000
0.00836
0.04102
41
0.00000
0.00740
0.03711
42
0.00000
-0.00740
0.03711