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)
-0.21600
Diff mu Y
(Debye)
-0.28700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01776
0.00900
0.00000
2
-0.02854
0.00435
0.00000
3
0.00376
-0.02986
0.00000
4
0.02082
0.00665
0.00000
5
-0.02154
-0.06790
0.00000
6
0.00986
0.01198
0.00000
7
-0.00451
-0.03403
0.00000
8
0.00414
0.06175
0.00000
9
0.02031
0.01584
0.00000
10
-0.02152
0.01928
0.00000
11
0.00765
0.07644
0.00000
12
-0.02286
-0.06177
0.00000
13
0.01273
0.08339
0.00000
14
0.03750
-0.04078
0.00000
15
0.01234
-0.02961
0.00000
16
-0.01561
0.03830
0.00000
17
-0.04887
-0.06680
0.00000
18
0.06829
-0.03164
0.00000
19
-0.02406
0.04520
0.00000
20
-0.02254
-0.05595
0.00000
21
0.02794
-0.07251
0.00000
22
-0.05973
-0.12246
0.00000
23
-0.00726
-0.07844
0.00000
24
0.04509
-0.05164
0.00000
25
0.05347
0.17205
0.00000
26
-0.07660
-0.18911
0.00000
27
-0.07179
0.09009
0.00000
28
0.04020
0.05581
0.00000
29
0.03194
0.06598
0.00000
30
-0.14153
0.19900
0.00000
31
0.05405
0.30292
0.00000
32
0.04352
0.17828
0.00000