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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 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)
0.81100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06402
2
0.00000
0.00000
-0.03057
3
0.00000
0.00000
-0.05365
4
0.00000
0.00000
0.00572
5
0.00000
0.00000
-0.03159
6
0.00000
0.00000
-0.00462
7
0.00000
0.00000
0.00468
8
0.00000
0.00000
-0.02444
9
0.00000
0.00000
-0.00492
10
0.00000
0.00000
-0.02051
11
0.00000
0.00000
0.02021
12
0.00000
0.00000
0.02826
13
0.00000
0.00000
0.01702
14
0.00000
0.00000
0.03279
15
0.00000
0.00000
0.05368
16
0.00000
0.00000
0.01473
17
0.00000
0.00000
-0.01125
18
0.00000
0.00000
-0.06524
19
0.00000
0.00000
-0.02262
20
0.00000
0.00000
-0.07125
21
0.00000
0.00000
0.13900
22
0.00000
0.00000
0.07618
23
0.00000
0.00000
0.14049
24
0.00000
0.00000
0.10255
25
0.00000
0.00000
-0.15449
26
0.00000
0.00000
-0.10854
27
0.00000
0.00000
-0.16611
28
0.00000
0.00000
-0.23511
29
0.00000
0.00000
0.48937
30
0.00000
0.00000
0.33644
31
0.00000
0.00000
0.27412
32
0.00000
0.00000
0.29137