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)
-0.42600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00009
-0.00018
2
0.00000
0.00009
0.00018
3
0.00000
0.00035
-0.00011
4
0.00000
0.00035
0.00011
5
0.00000
0.00014
0.00003
6
0.00000
0.00014
-0.00003
7
0.00000
0.00018
0.00012
8
0.00000
0.00018
-0.00012
9
0.00000
-0.00223
-0.00387
10
0.00000
-0.00223
0.00387
11
0.00000
-0.00517
0.00815
12
0.00000
-0.00517
-0.00815
13
0.00000
-0.00458
-0.00861
14
0.00000
-0.00458
0.00861
15
0.00000
0.00518
-0.00016
16
0.00000
0.00518
0.00016
17
0.00000
0.01115
-0.00246
18
0.00000
0.01115
0.00246
19
0.00000
-0.02530
0.04872
20
0.00000
-0.02530
-0.04872
21
0.00000
-0.06506
0.00003
22
0.00000
-0.06506
-0.00003
23
0.00000
0.05707
-0.09192
24
0.00000
0.05707
0.09192
25
0.00000
0.05444
0.09888
26
0.00000
0.05444
-0.09888
27
0.00000
0.02581
0.04593
28
0.00000
0.02581
-0.04593
29
0.00000
-0.14590
0.00529
30
0.00000
-0.14590
-0.00529
31
0.00000
0.31411
-0.55177
32
0.00000
0.31411
0.55177