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)
0.00000
Diff mu Z
(Debye)
1.25700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00003
-0.00045
2
0.00000
-0.00003
-0.00045
3
0.00000
-0.00146
-0.00030
4
0.00000
0.00146
-0.00030
5
0.00000
-0.00042
-0.00023
6
0.00000
0.00042
-0.00023
7
0.00000
-0.00008
-0.00152
8
0.00000
0.00008
-0.00152
9
0.00000
-0.00546
-0.00936
10
0.00000
0.00546
-0.00936
11
0.00000
0.01743
-0.02869
12
0.00000
-0.01743
-0.02869
13
0.00000
-0.00360
-0.00600
14
0.00000
0.00360
-0.00600
15
0.00000
0.00533
0.00015
16
0.00000
-0.00533
0.00015
17
0.00000
-0.03525
-0.00045
18
0.00000
0.03525
-0.00045
19
0.00000
-0.01535
0.02743
20
0.00000
0.01535
0.02743
21
0.00000
-0.05205
-0.00048
22
0.00000
0.05205
-0.00048
23
0.00000
-0.20710
0.33539
24
0.00000
0.20710
0.33539
25
0.00000
0.04502
0.07853
26
0.00000
-0.04502
0.07853
27
0.00000
0.06639
0.11512
28
0.00000
-0.06639
0.11512
29
0.00000
0.39179
-0.00310
30
0.00000
-0.39179
-0.00310
31
0.00000
0.17269
-0.29408
32
0.00000
-0.17269
-0.29408