Charge: 2
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+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.49400
Diff mu Y
(Debye)
0.51700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00004
-0.00035
0.00000
2
-0.00001
0.00004
0.00000
3
0.00069
-0.00110
0.00000
4
0.00019
0.00051
0.00000
5
-0.00006
0.00019
0.00000
6
0.00023
-0.00009
0.00000
7
-0.04061
-0.03551
0.00000
8
-0.01786
0.00749
0.00000
9
-0.01185
0.00465
0.00000
10
-0.00789
-0.00766
0.00000
11
-0.00018
0.00122
0.00000
12
-0.00754
0.00223
0.00000
13
-0.01009
0.00286
0.00000
14
-0.00574
-0.00442
0.00000
15
-0.00017
0.00041
0.00000
16
-0.00061
0.00362
0.00000
17
-0.04510
0.01242
0.00000
18
-0.01740
-0.01721
0.00000
19
0.00160
-0.00425
0.00000
20
-0.00859
0.00218
0.00000
21
0.47864
0.40953
0.00000
22
0.20262
-0.06797
0.00000
23
0.14326
-0.04867
0.00000
24
0.09686
0.08701
0.00000
25
0.08669
-0.03029
0.00000
26
0.12424
-0.03979
0.00000
27
0.06719
0.05995
0.00000
28
0.00791
-0.04017
0.00000
29
-0.01198
0.04433
0.00000
30
0.19856
0.19038
0.00000
31
0.53280
-0.14240
0.00000
32
0.10954
-0.03167
0.00000