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)
0.23600
Diff mu Y
(Debye)
0.21300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01861
0.02557
0.00000
2
-0.01412
0.05159
0.00000
3
-0.03333
-0.04128
0.00000
4
-0.01691
0.00233
0.00000
5
0.04047
0.01542
0.00000
6
0.02931
-0.00068
0.00000
7
0.02984
0.02248
0.00000
8
0.00220
-0.00516
0.00000
9
-0.03330
0.02326
0.00000
10
-0.00342
-0.03454
0.00000
11
-0.04873
-0.02053
0.00000
12
-0.00071
-0.04010
0.00000
13
0.03195
0.00261
0.00000
14
0.01731
-0.03338
0.00000
15
-0.04018
0.05656
0.00000
16
-0.01103
0.04586
0.00000
17
0.06437
-0.05059
0.00000
18
-0.01674
0.02900
0.00000
19
-0.03394
-0.00823
0.00000
20
0.07876
-0.00521
0.00000
21
-0.01832
0.07522
0.00000
22
-0.03590
-0.12370
0.00000
23
0.01738
0.18682
0.00000
24
0.12564
-0.18239
0.00000
25
-0.06060
-0.21404
0.00000
26
-0.02727
-0.17555
0.00000
27
0.12421
-0.14966
0.00000
28
-0.03949
0.04118
0.00000
29
-0.35991
-0.08988
0.00000
30
-0.16878
0.19577
0.00000
31
0.04759
-0.10940
0.00000
32
0.11938
0.12909
0.00000