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)
0.74400
Diff mu Y
(Debye)
0.01500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03749
0.01902
0.00000
2
-0.00236
0.02129
0.00000
3
-0.02777
-0.03291
0.00000
4
-0.02160
-0.00758
0.00000
5
0.01417
0.03310
0.00000
6
0.02323
-0.03013
0.00000
7
0.02810
-0.02799
0.00000
8
-0.00509
0.01307
0.00000
9
-0.02251
0.01196
0.00000
10
-0.00583
-0.02242
0.00000
11
-0.12149
-0.03051
0.00000
12
0.00702
-0.00001
0.00000
13
0.06174
-0.00121
0.00000
14
0.00917
-0.00470
0.00000
15
-0.08501
-0.03733
0.00000
16
-0.00476
0.01494
0.00000
17
0.06825
0.03381
0.00000
18
0.00888
-0.01606
0.00000
19
0.00553
0.02473
0.00000
20
0.00977
-0.02640
0.00000
21
0.06070
-0.06952
0.00000
22
0.05352
0.19411
0.00000
23
-0.06195
-0.09709
0.00000
24
-0.10282
0.08211
0.00000
25
-0.00923
-0.04452
0.00000
26
0.14470
0.24585
0.00000
27
-0.08935
0.11084
0.00000
28
-0.00587
0.01588
0.00000
29
0.08406
0.04345
0.00000
30
0.03397
-0.04106
0.00000
31
0.18750
0.44430
0.00000
32
-0.02035
-0.10645
0.00000