Charge: 2
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+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.08300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02304
0.04386
2
0.00000
-0.02304
-0.04386
3
0.00000
-0.04931
0.03678
4
0.00000
-0.04931
-0.03678
5
0.00000
0.02932
0.05681
6
0.00000
0.02932
-0.05681
7
0.00000
0.05368
-0.01930
8
0.00000
0.05368
0.01930
9
0.00000
0.02960
0.05300
10
0.00000
0.02960
-0.05300
11
0.00000
-0.08628
0.02182
12
0.00000
-0.08628
-0.02182
13
0.00000
0.04084
0.01939
14
0.00000
0.04084
-0.01939
15
0.00000
-0.03115
-0.01858
16
0.00000
-0.03115
0.01858
17
0.00000
0.05044
-0.05980
18
0.00000
0.05044
0.05980
19
0.00000
-0.00504
-0.04106
20
0.00000
-0.00504
0.04106
21
0.00000
-0.03118
-0.09428
22
0.00000
-0.03118
0.09428
23
0.00000
-0.12486
-0.00173
24
0.00000
-0.12486
0.00173
25
0.00000
0.08635
-0.00567
26
0.00000
0.08635
0.00567
27
0.00000
-0.02549
0.08471
28
0.00000
-0.02549
-0.08471
29
0.00000
0.05131
-0.09903
30
0.00000
0.05131
0.09903
31
0.00000
-0.06396
-0.07547
32
0.00000
-0.06396
0.07547