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)
-0.18500
Diff mu Y
(Debye)
0.61000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01072
-0.05899
0.00000
2
0.00778
-0.07417
0.00000
3
0.04711
-0.01294
0.00000
4
-0.02557
-0.02792
0.00000
5
-0.04479
-0.00701
0.00000
6
0.02751
-0.01175
0.00000
7
0.07523
0.05027
0.00000
8
-0.12097
0.01558
0.00000
9
-0.06345
0.00585
0.00000
10
0.10258
0.04980
0.00000
11
0.01592
-0.01237
0.00000
12
0.06164
-0.00637
0.00000
13
-0.02736
-0.00001
0.00000
14
-0.04959
-0.00895
0.00000
15
-0.00911
-0.00243
0.00000
16
-0.01974
0.08750
0.00000
17
0.02741
0.00160
0.00000
18
0.00348
0.00022
0.00000
19
-0.00492
0.01041
0.00000
20
-0.01783
0.01607
0.00000
21
0.14916
-0.04176
0.00000
22
-0.14965
-0.08079
0.00000
23
-0.10341
-0.12209
0.00000
24
0.15510
-0.01397
0.00000
25
0.04710
-0.04695
0.00000
26
-0.02221
0.01288
0.00000
27
-0.02717
-0.03391
0.00000
28
-0.02955
0.08410
0.00000
29
0.01775
0.01770
0.00000
30
-0.00641
0.01325
0.00000
31
0.03271
0.01735
0.00000
32
-0.01634
0.02288
0.00000