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)
0.79100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00011
0.00004
2
0.00000
0.00011
-0.00004
3
0.00000
0.00047
0.00045
4
0.00000
0.00047
-0.00045
5
0.00000
-0.00126
0.00118
6
0.00000
-0.00126
-0.00118
7
0.00000
-0.00042
0.00020
8
0.00000
-0.00042
-0.00020
9
0.00000
0.00638
0.00908
10
0.00000
0.00638
-0.00908
11
0.00000
-0.00819
0.01097
12
0.00000
-0.00819
-0.01097
13
0.00000
0.02346
0.04472
14
0.00000
0.02346
-0.04472
15
0.00000
0.02194
-0.00083
16
0.00000
0.02194
0.00083
17
0.00000
0.00377
0.00004
18
0.00000
0.00377
-0.00004
19
0.00000
0.00014
-0.00091
20
0.00000
0.00014
0.00091
21
0.00000
-0.24417
0.00028
22
0.00000
-0.24417
-0.00028
23
0.00000
0.08935
-0.14236
24
0.00000
0.08935
0.14236
25
0.00000
-0.28663
-0.51552
26
0.00000
-0.28663
0.51552
27
0.00000
-0.06752
-0.11854
28
0.00000
-0.06752
0.11854
29
0.00000
-0.04062
0.00028
30
0.00000
-0.04062
-0.00028
31
0.00000
-0.00293
0.00600
32
0.00000
-0.00293
-0.00600