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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.50400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00003
0.00002
2
0.00000
-0.00003
-0.00002
3
0.00000
0.00011
0.00006
4
0.00000
0.00020
-0.00011
5
0.00000
0.00020
0.00011
6
0.00000
0.00011
-0.00006
7
0.00000
0.00010
0.00002
8
0.00000
0.00187
0.00086
9
0.00000
0.00187
-0.00086
10
0.00000
0.00010
-0.00002
11
0.00000
0.00007
-0.00002
12
0.00000
0.01402
-0.02511
13
0.00000
0.01402
0.02511
14
0.00000
0.00007
0.00002
15
0.00000
0.00002
-0.00173
16
0.00000
0.00002
0.00173
17
0.00000
-0.02451
-0.00020
18
0.00000
0.02772
-0.00129
19
0.00000
0.02772
0.00129
20
0.00000
-0.02451
0.00020
21
0.00000
0.00184
-0.00096
22
0.00000
-0.01801
0.02921
23
0.00000
-0.01801
-0.02921
24
0.00000
0.00184
0.00096
25
0.00000
-0.00049
0.00010
26
0.00000
-0.00049
-0.00010
27
0.00000
0.00086
-0.00151
28
0.00000
0.00086
0.00151
29
0.00000
0.27728
0.00014
30
0.00000
-0.32728
0.00059
31
0.00000
-0.32728
-0.00059
32
0.00000
0.27728
-0.00014
33
0.00000
-0.01620
0.02445
34
0.00000
0.19763
-0.34320
35
0.00000
0.19763
0.34320
36
0.00000
-0.01620
-0.02445
37
0.00000
-0.01013
0.01747
38
0.00000
-0.17133
0.29027
39
0.00000
-0.17133
-0.29027
40
0.00000
-0.01013
-0.01747
41
0.00000
0.00521
0.00000
42
0.00000
0.00521
0.00000