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)
-0.04100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00830
0.00522
2
0.00000
-0.00830
0.00522
3
0.00000
0.00324
0.00118
4
0.00000
-0.00324
0.00118
5
0.00000
-0.01019
-0.00610
6
0.00000
0.01019
-0.00610
7
0.00000
-0.04243
-0.01970
8
0.00000
0.04243
-0.01970
9
0.00000
0.05711
-0.00556
10
0.00000
-0.05711
-0.00556
11
0.00000
-0.00544
-0.03757
12
0.00000
0.00544
-0.03757
13
0.00000
-0.00004
-0.03358
14
0.00000
0.00004
-0.03358
15
0.00000
0.00200
0.09576
16
0.00000
-0.00200
0.09576
17
0.00000
0.02507
0.09585
18
0.00000
-0.02507
0.09585
19
0.00000
-0.01252
-0.04794
20
0.00000
0.01252
-0.04794
21
0.00000
0.00216
-0.20802
22
0.00000
-0.00216
-0.20802
23
0.00000
-0.00400
-0.03866
24
0.00000
0.00400
-0.03866
25
0.00000
0.05715
-0.06945
26
0.00000
-0.05715
-0.06945
27
0.00000
-0.08401
0.08103
28
0.00000
0.08401
0.08103
29
0.00000
0.02466
-0.26147
30
0.00000
-0.02466
-0.26147
31
0.00000
-0.04024
-0.06964
32
0.00000
0.04024
-0.06964