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)
-768.17180
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)
-0.70000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10116
0.00000
0.00000
2
-0.10116
0.00000
0.00000
3
0.07306
0.00000
0.00000
4
0.07306
0.00000
0.00000
5
0.07726
0.00000
0.00000
6
0.07726
0.00000
0.00000
7
-0.00065
0.00000
0.00000
8
-0.00065
0.00000
0.00000
9
0.00117
0.00000
0.00000
10
0.00117
0.00000
0.00000
11
-0.00783
0.00000
0.00000
12
-0.00783
0.00000
0.00000
13
-0.01815
0.00000
0.00000
14
-0.01815
0.00000
0.00000
15
0.05294
0.00000
0.00000
16
0.05294
0.00000
0.00000
17
-0.02043
0.00000
0.00000
18
-0.02043
0.00000
0.00000
19
-0.00400
0.00000
0.00000
20
-0.00400
0.00000
0.00000
21
-0.13555
0.00000
0.00000
22
-0.13555
0.00000
0.00000
23
-0.28664
0.00000
0.00000
24
-0.28664
0.00000
0.00000
25
-0.26858
0.00000
0.00000
26
-0.26858
0.00000
0.00000
27
-0.09860
0.00000
0.00000
28
-0.09860
0.00000
0.00000
29
0.08286
0.00000
0.00000
30
0.08286
0.00000
0.00000
31
0.08481
0.00000
0.00000
32
0.08481
0.00000
0.00000