Charge: 0
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
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)
-0.02800
Diff mu Y
(Debye)
0.22400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05571
0.00085
0.00000
2
-0.02217
0.01116
0.00000
3
-0.06248
-0.00559
0.00000
4
-0.00915
0.04586
0.00000
5
-0.05738
0.00043
0.00000
6
0.00473
-0.01241
0.00000
7
-0.05228
0.03513
0.00000
8
-0.02228
0.05155
0.00000
9
-0.03362
-0.02822
0.00000
10
-0.00219
-0.02749
0.00000
11
-0.04231
-0.02056
0.00000
12
0.04040
0.05827
0.00000
13
-0.04548
0.01102
0.00000
14
0.05190
-0.00333
0.00000
15
-0.02877
0.00688
0.00000
16
0.06565
0.03158
0.00000
17
0.01106
-0.07966
0.00000
18
0.08178
-0.07180
0.00000
19
0.09859
-0.02414
0.00000
20
0.04756
0.02299
0.00000
21
-0.06875
0.05125
0.00000
22
-0.01738
0.06559
0.00000
23
-0.04380
-0.06070
0.00000
24
0.00983
-0.04000
0.00000
25
0.05292
0.09398
0.00000
26
-0.04174
0.02165
0.00000
27
0.07966
-0.03310
0.00000
28
0.09369
0.03702
0.00000
29
0.14327
-0.01368
0.00000
30
0.11417
-0.10665
0.00000
31
-0.00525
-0.13154
0.00000
32
0.06621
0.08606
0.00000