Charge: -1
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q-1
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
-0.29000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00008
-0.00016
2
0.00000
0.00008
-0.00016
3
0.00000
-0.00062
-0.00099
4
0.00000
0.00062
-0.00099
5
0.00000
-0.00013
-0.00012
6
0.00000
0.00013
-0.00012
7
0.00000
0.00028
0.00105
8
0.00000
-0.00028
0.00105
9
0.00000
-0.00130
-0.00210
10
0.00000
0.00130
-0.00210
11
0.00000
0.02240
-0.03595
12
0.00000
-0.02240
-0.03595
13
0.00000
0.00004
0.00070
14
0.00000
-0.00004
0.00070
15
0.00000
0.01104
0.00025
16
0.00000
-0.01104
0.00025
17
0.00000
0.03510
0.00008
18
0.00000
-0.03510
0.00008
19
0.00000
0.00632
-0.01176
20
0.00000
-0.00632
-0.01176
21
0.00000
-0.11613
-0.00121
22
0.00000
0.11613
-0.00121
23
0.00000
-0.26277
0.42992
24
0.00000
0.26277
0.42992
25
0.00000
0.00239
0.00321
26
0.00000
-0.00239
0.00321
27
0.00000
0.01855
0.03233
28
0.00000
-0.01855
0.03233
29
0.00000
-0.41025
-0.00071
30
0.00000
0.41025
-0.00071
31
0.00000
-0.07002
0.12008
32
0.00000
0.07002
0.12008