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)
0.28300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01460
-0.06358
2
0.00000
-0.01460
0.06358
3
0.00000
-0.00647
0.04072
4
0.00000
-0.00647
-0.04072
5
0.00000
0.05313
0.04242
6
0.00000
0.05313
-0.04242
7
0.00000
-0.01205
-0.04788
8
0.00000
-0.01205
0.04788
9
0.00000
-0.00304
-0.01868
10
0.00000
-0.00304
0.01868
11
0.00000
0.07041
0.04975
12
0.00000
0.07041
-0.04975
13
0.00000
-0.07070
0.04516
14
0.00000
-0.07070
-0.04516
15
0.00000
-0.00553
-0.06221
16
0.00000
-0.00553
0.06221
17
0.00000
0.00510
-0.00889
18
0.00000
0.00510
0.00889
19
0.00000
-0.00933
0.01076
20
0.00000
-0.00933
-0.01076
21
0.00000
-0.00638
-0.09474
22
0.00000
-0.00638
0.09474
23
0.00000
-0.23518
-0.13692
24
0.00000
-0.23518
0.13692
25
0.00000
0.09056
-0.04407
26
0.00000
0.09056
0.04407
27
0.00000
0.04055
-0.04335
28
0.00000
0.04055
0.04335
29
0.00000
0.00332
0.12711
30
0.00000
0.00332
-0.12711
31
0.00000
0.02479
0.03127
32
0.00000
0.02479
-0.03127