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)
0.00000
Diff mu Z
(Debye)
-0.55800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.08631
-0.00011
2
0.00000
0.08631
-0.00011
3
0.00000
0.07746
0.02065
4
0.00000
-0.07746
0.02065
5
0.00000
0.00155
0.00824
6
0.00000
-0.00155
0.00824
7
0.00000
-0.07177
-0.00389
8
0.00000
0.07177
-0.00389
9
0.00000
0.06986
-0.00911
10
0.00000
-0.06986
-0.00911
11
0.00000
-0.01537
-0.00703
12
0.00000
0.01537
-0.00703
13
0.00000
0.03671
-0.02870
14
0.00000
-0.03671
-0.02870
15
0.00000
-0.02631
0.03017
16
0.00000
0.02631
0.03017
17
0.00000
-0.00738
-0.07450
18
0.00000
0.00738
-0.07450
19
0.00000
0.03742
0.04807
20
0.00000
-0.03742
0.04807
21
0.00000
-0.02746
-0.03340
22
0.00000
0.02746
-0.03340
23
0.00000
-0.05648
-0.02943
24
0.00000
0.05648
-0.02943
25
0.00000
-0.13042
0.06070
26
0.00000
0.13042
0.06070
27
0.00000
-0.09458
0.09155
28
0.00000
0.09458
0.09155
29
0.00000
-0.00941
0.06195
30
0.00000
0.00941
0.06195
31
0.00000
0.02407
0.04172
32
0.00000
-0.02407
0.04172