Charge: 0
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
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)
0.48800
Diff mu Y
(Debye)
0.25400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04381
-0.03722
0.00000
2
-0.05907
-0.05678
0.00000
3
-0.03178
0.05562
0.00000
4
-0.02520
-0.01444
0.00000
5
-0.01762
-0.01118
0.00000
6
-0.02450
-0.02175
0.00000
7
0.03576
0.02309
0.00000
8
0.06696
-0.02592
0.00000
9
0.02437
-0.00522
0.00000
10
0.04431
0.03346
0.00000
11
-0.01924
0.09541
0.00000
12
-0.01957
-0.01257
0.00000
13
0.00359
-0.02659
0.00000
14
0.04195
0.05460
0.00000
15
-0.00688
0.02004
0.00000
16
-0.00382
0.01110
0.00000
17
0.00833
0.03102
0.00000
18
-0.10425
-0.07436
0.00000
19
0.03059
-0.02549
0.00000
20
0.09277
-0.01645
0.00000
21
0.01630
0.05211
0.00000
22
0.03844
-0.12094
0.00000
23
-0.01324
-0.12373
0.00000
24
-0.01019
0.09252
0.00000
25
-0.02523
-0.02003
0.00000
26
-0.00503
-0.05504
0.00000
27
0.06608
0.02467
0.00000
28
-0.09037
-0.00419
0.00000
29
0.11830
-0.01079
0.00000
30
-0.16677
-0.01267
0.00000
31
0.03176
0.14283
0.00000
32
0.12466
0.07851
0.00000