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)
0.15100
Diff mu Y
(Debye)
-2.08900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00030
0.01799
0.00000
2
0.00333
-0.02734
0.00000
3
-0.08008
-0.01730
0.00000
4
-0.07468
0.01363
0.00000
5
0.07441
-0.01416
0.00000
6
0.06021
0.04463
0.00000
7
0.03031
-0.02434
0.00000
8
0.02975
0.04860
0.00000
9
-0.01899
-0.03153
0.00000
10
-0.03485
0.02368
0.00000
11
0.09238
0.03181
0.00000
12
0.02510
-0.01391
0.00000
13
-0.00496
0.02046
0.00000
14
-0.00801
-0.02456
0.00000
15
-0.06172
0.01211
0.00000
16
-0.00899
0.00577
0.00000
17
-0.01334
-0.03952
0.00000
18
-0.05681
0.05357
0.00000
19
0.04531
0.02227
0.00000
20
-0.02415
-0.07694
0.00000
21
0.11023
-0.11507
0.00000
22
0.01541
0.00883
0.00000
23
-0.04922
-0.12508
0.00000
24
-0.05945
0.05368
0.00000
25
-0.01293
-0.12740
0.00000
26
0.05950
0.22118
0.00000
27
0.06072
-0.10049
0.00000
28
-0.00794
0.00451
0.00000
29
0.09324
0.03456
0.00000
30
0.11380
-0.12955
0.00000
31
-0.04567
-0.15138
0.00000
32
0.03298
0.12973
0.00000