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)
-0.05800
Diff mu Y
(Debye)
-0.10200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02802
-0.00137
0.00000
2
0.06268
-0.00154
0.00000
3
-0.00322
-0.00709
0.00000
4
0.05859
-0.04010
0.00000
5
0.03020
0.03440
0.00000
6
0.04664
0.03572
0.00000
7
0.01034
-0.01082
0.00000
8
0.04344
-0.01734
0.00000
9
0.04326
0.04511
0.00000
10
0.05547
0.05492
0.00000
11
-0.09140
-0.01970
0.00000
12
0.00253
-0.06227
0.00000
13
-0.05399
0.02371
0.00000
14
-0.01664
0.02450
0.00000
15
-0.08650
0.03985
0.00000
16
-0.03625
-0.02596
0.00000
17
-0.07081
-0.06885
0.00000
18
-0.00351
-0.06267
0.00000
19
0.01893
0.00810
0.00000
20
-0.03457
0.06026
0.00000
21
0.01067
-0.01101
0.00000
22
0.05529
0.01969
0.00000
23
0.04146
0.03924
0.00000
24
0.05656
0.05383
0.00000
25
-0.01411
-0.11069
0.00000
26
-0.07537
-0.04403
0.00000
27
-0.05392
0.06634
0.00000
28
-0.07611
-0.03401
0.00000
29
0.08387
0.02362
0.00000
30
0.03758
-0.10685
0.00000
31
-0.08529
-0.11621
0.00000
32
-0.01872
0.11476
0.00000