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)
1.16400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01051
0.04124
2
0.00000
-0.01051
-0.04124
3
0.00000
0.06769
-0.01169
4
0.00000
0.06769
0.01169
5
0.00000
-0.09722
0.05099
6
0.00000
-0.09722
-0.05099
7
0.00000
-0.00958
-0.07005
8
0.00000
-0.00958
0.07005
9
0.00000
0.00537
-0.00892
10
0.00000
0.00537
0.00892
11
0.00000
-0.02802
-0.01130
12
0.00000
-0.02802
0.01130
13
0.00000
0.02184
0.01249
14
0.00000
0.02184
-0.01249
15
0.00000
0.02362
0.01154
16
0.00000
0.02362
-0.01154
17
0.00000
0.01084
0.01324
18
0.00000
0.01084
-0.01324
19
0.00000
-0.01320
0.01917
20
0.00000
-0.01320
-0.01917
21
0.00000
0.02536
-0.16036
22
0.00000
0.02536
0.16036
23
0.00000
-0.04949
-0.02175
24
0.00000
-0.04949
0.02175
25
0.00000
0.12851
-0.04032
26
0.00000
0.12851
0.04032
27
0.00000
0.27035
-0.16766
28
0.00000
0.27035
0.16766
29
0.00000
0.00884
0.16559
30
0.00000
0.00884
-0.16559
31
0.00000
-0.03627
0.00686
32
0.00000
-0.03627
-0.00686