Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
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)
0.41800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.12467
2
0.00000
0.00000
0.06600
3
0.00000
0.00000
-0.05036
4
0.00000
0.00000
-0.08713
5
0.00000
0.00000
-0.10915
6
0.00000
0.00000
-0.03790
7
0.00000
0.00000
-0.01010
8
0.00000
0.00000
-0.00542
9
0.00000
0.00000
0.01125
10
0.00000
0.00000
-0.03357
11
0.00000
0.00000
-0.03128
12
0.00000
0.00000
0.03591
13
0.00000
0.00000
0.01100
14
0.00000
0.00000
0.03942
15
0.00000
0.00000
0.02866
16
0.00000
0.00000
-0.06803
17
0.00000
0.00000
0.04120
18
0.00000
0.00000
-0.02825
19
0.00000
0.00000
0.04475
20
0.00000
0.00000
-0.01995
21
0.00000
0.00000
0.11030
22
0.00000
0.00000
0.16517
23
0.00000
0.00000
0.21437
24
0.00000
0.00000
0.12716
25
0.00000
0.00000
0.28539
26
0.00000
0.00000
0.16438
27
0.00000
0.00000
0.17303
28
0.00000
0.00000
0.02876
29
0.00000
0.00000
-0.03903
30
0.00000
0.00000
-0.14469
31
0.00000
0.00000
0.00786
32
0.00000
0.00000
-0.16064