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)
0.31100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02509
2
0.00000
0.00000
-0.00874
3
0.00000
0.00000
-0.07481
4
0.00000
0.00000
-0.00263
5
0.00000
0.00000
0.04270
6
0.00000
0.00000
-0.01181
7
0.00000
0.00000
0.04765
8
0.00000
0.00000
0.03406
9
0.00000
0.00000
-0.02957
10
0.00000
0.00000
-0.02959
11
0.00000
0.00000
0.06541
12
0.00000
0.00000
-0.04898
13
0.00000
0.00000
-0.05873
14
0.00000
0.00000
0.06447
15
0.00000
0.00000
-0.00709
16
0.00000
0.00000
0.01213
17
0.00000
0.00000
-0.02402
18
0.00000
0.00000
-0.00786
19
0.00000
0.00000
-0.02034
20
0.00000
0.00000
0.00729
21
0.00000
0.00000
-0.15217
22
0.00000
0.00000
-0.32978
23
0.00000
0.00000
0.09268
24
0.00000
0.00000
0.27322
25
0.00000
0.00000
0.30039
26
0.00000
0.00000
0.36586
27
0.00000
0.00000
-0.41064
28
0.00000
0.00000
-0.08476
29
0.00000
0.00000
0.07192
30
0.00000
0.00000
0.16172
31
0.00000
0.00000
0.00962
32
0.00000
0.00000
0.00402