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)
0.00500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06153
0.00000
0.00000
2
0.06153
0.00000
0.00000
3
-0.04566
0.00000
0.00000
4
-0.04566
0.00000
0.00000
5
0.01592
0.00000
0.00000
6
0.01592
0.00000
0.00000
7
-0.09350
0.00000
0.00000
8
-0.09350
0.00000
0.00000
9
0.00580
0.00000
0.00000
10
0.00580
0.00000
0.00000
11
0.00075
0.00000
0.00000
12
0.00075
0.00000
0.00000
13
-0.05814
0.00000
0.00000
14
-0.05814
0.00000
0.00000
15
0.05337
0.00000
0.00000
16
0.05337
0.00000
0.00000
17
0.08858
0.00000
0.00000
18
0.08858
0.00000
0.00000
19
-0.04031
0.00000
0.00000
20
-0.04031
0.00000
0.00000
21
0.09075
0.00000
0.00000
22
0.09075
0.00000
0.00000
23
-0.04338
0.00000
0.00000
24
-0.04338
0.00000
0.00000
25
-0.16735
0.00000
0.00000
26
-0.16735
0.00000
0.00000
27
-0.02959
0.00000
0.00000
28
-0.02959
0.00000
0.00000
29
0.30419
0.00000
0.00000
30
0.30419
0.00000
0.00000
31
-0.01581
0.00000
0.00000
32
-0.01581
0.00000
0.00000