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)
0.05100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00137
0.03292
2
0.00000
0.00137
-0.03292
3
0.00000
0.03551
-0.03051
4
0.00000
0.03551
0.03051
5
0.00000
-0.05868
0.01185
6
0.00000
-0.05868
-0.01185
7
0.00000
-0.00636
0.00710
8
0.00000
-0.00636
-0.00710
9
0.00000
0.04437
-0.04999
10
0.00000
0.04437
0.04999
11
0.00000
-0.02385
0.04228
12
0.00000
-0.02385
-0.04228
13
0.00000
0.01440
0.04243
14
0.00000
0.01440
-0.04243
15
0.00000
0.00705
-0.10919
16
0.00000
0.00705
0.10919
17
0.00000
-0.00854
-0.00669
18
0.00000
-0.00854
0.00669
19
0.00000
0.01374
0.01707
20
0.00000
0.01374
-0.01707
21
0.00000
0.00787
0.29986
22
0.00000
0.00787
-0.29986
23
0.00000
0.04096
0.08580
24
0.00000
0.04096
-0.08580
25
0.00000
-0.01293
0.06895
26
0.00000
-0.01293
-0.06895
27
0.00000
-0.20188
0.08615
28
0.00000
-0.20188
-0.08615
29
0.00000
-0.00693
-0.05605
30
0.00000
-0.00693
0.05605
31
0.00000
-0.05345
-0.01851
32
0.00000
-0.05345
0.01851