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)
-768.42040
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)
-2.36100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02498
-0.05153
2
0.00000
0.02498
0.05153
3
0.00000
-0.04444
0.02134
4
0.00000
-0.04444
-0.02134
5
0.00000
-0.06957
0.06719
6
0.00000
-0.06957
-0.06719
7
0.00000
0.00990
-0.00948
8
0.00000
0.00990
0.00948
9
0.00000
0.03465
-0.04193
10
0.00000
0.03465
0.04193
11
0.00000
0.05077
0.01816
12
0.00000
0.05077
-0.01816
13
0.00000
0.08102
-0.05999
14
0.00000
0.08102
0.05999
15
0.00000
-0.04450
0.02650
16
0.00000
-0.04450
-0.02650
17
0.00000
-0.01070
-0.01414
18
0.00000
-0.01070
0.01414
19
0.00000
0.01135
0.01813
20
0.00000
0.01135
-0.01813
21
0.00000
-0.04940
-0.02802
22
0.00000
-0.04940
0.02802
23
0.00000
-0.09830
-0.07249
24
0.00000
-0.09830
0.07249
25
0.00000
-0.18846
0.08985
26
0.00000
-0.18846
-0.08985
27
0.00000
-0.12002
0.04605
28
0.00000
-0.12002
-0.04605
29
0.00000
-0.01340
0.03983
30
0.00000
-0.01340
-0.03983
31
0.00000
-0.04793
-0.01452
32
0.00000
-0.04793
0.01452