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)
-768.18063
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.16200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02905
2
0.00000
0.00000
0.01386
3
0.00000
0.00000
-0.04229
4
0.00000
0.00000
0.03207
5
0.00000
0.00000
-0.03864
6
0.00000
0.00000
0.03595
7
0.00000
0.00000
0.05451
8
0.00000
0.00000
0.09021
9
0.00000
0.00000
0.04942
10
0.00000
0.00000
0.09271
11
0.00000
0.00000
-0.08469
12
0.00000
0.00000
-0.02328
13
0.00000
0.00000
-0.08124
14
0.00000
0.00000
-0.01827
15
0.00000
0.00000
-0.07475
16
0.00000
0.00000
-0.07457
17
0.00000
0.00000
-0.07494
18
0.00000
0.00000
0.02976
19
0.00000
0.00000
0.09677
20
0.00000
0.00000
0.01367
21
0.00000
0.00000
0.10224
22
0.00000
0.00000
0.15334
23
0.00000
0.00000
0.07964
24
0.00000
0.00000
0.15431
25
0.00000
0.00000
-0.03180
26
0.00000
0.00000
-0.08308
27
0.00000
0.00000
-0.02329
28
0.00000
0.00000
-0.13709
29
0.00000
0.00000
0.19706
30
0.00000
0.00000
0.06519
31
0.00000
0.00000
-0.12382
32
0.00000
0.00000
0.03764