Charge: -1
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-1
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)
0.39400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04633
0.02148
2
0.00000
-0.04633
-0.02148
3
0.00000
0.00618
0.00930
4
0.00000
0.00618
-0.00930
5
0.00000
-0.02591
0.03248
6
0.00000
-0.02591
-0.03248
7
0.00000
-0.05797
-0.02232
8
0.00000
-0.05797
0.02232
9
0.00000
0.04106
0.08257
10
0.00000
0.04106
-0.08257
11
0.00000
0.04974
0.00360
12
0.00000
0.04974
-0.00360
13
0.00000
-0.04027
-0.04785
14
0.00000
-0.04027
0.04785
15
0.00000
0.06009
0.00970
16
0.00000
0.06009
-0.00970
17
0.00000
-0.03610
-0.02966
18
0.00000
-0.03610
0.02966
19
0.00000
0.05068
-0.07776
20
0.00000
0.05068
0.07776
21
0.00000
0.05947
0.08779
22
0.00000
0.05947
-0.08779
23
0.00000
0.03904
-0.00219
24
0.00000
0.03904
0.00219
25
0.00000
-0.06556
-0.03198
26
0.00000
-0.06556
0.03198
27
0.00000
-0.01903
0.11517
28
0.00000
-0.01903
-0.11517
29
0.00000
-0.03588
0.06042
30
0.00000
-0.03588
-0.06042
31
0.00000
0.00810
-0.10115
32
0.00000
0.00810
0.10115