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)
0.08200
Diff mu Y
(Debye)
0.57900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02018
-0.01324
0.00000
2
-0.01280
0.04313
0.00000
3
0.04978
-0.06284
0.00000
4
-0.05926
-0.04230
0.00000
5
-0.04335
-0.09986
0.00000
6
0.05771
-0.02897
0.00000
7
0.00713
-0.00154
0.00000
8
0.00323
-0.00003
0.00000
9
-0.00099
-0.01109
0.00000
10
0.01048
0.01027
0.00000
11
0.00568
0.05915
0.00000
12
-0.00347
-0.02154
0.00000
13
-0.04073
0.00142
0.00000
14
-0.00011
-0.00806
0.00000
15
0.01259
0.09707
0.00000
16
0.00509
0.04042
0.00000
17
-0.01523
-0.00992
0.00000
18
-0.00570
-0.00785
0.00000
19
0.01009
-0.01804
0.00000
20
0.01814
-0.00784
0.00000
21
-0.10932
0.13086
0.00000
22
0.10601
0.30675
0.00000
23
0.11202
0.31079
0.00000
24
-0.16543
0.20453
0.00000
25
0.01763
0.05166
0.00000
26
0.00135
0.16075
0.00000
27
-0.06023
0.06377
0.00000
28
0.00842
0.04307
0.00000
29
-0.09077
-0.04278
0.00000
30
0.01550
-0.03077
0.00000
31
-0.01909
-0.01479
0.00000
32
-0.03618
-0.21164
0.00000