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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 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)
0.01900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01982
2
0.00000
0.00000
-0.01376
3
0.00000
0.00000
-0.02417
4
0.00000
0.00000
0.03024
5
0.00000
0.00000
-0.00467
6
0.00000
0.00000
-0.04058
7
0.00000
0.00000
0.00482
8
0.00000
0.00000
0.04078
9
0.00000
0.00000
-0.04978
10
0.00000
0.00000
-0.07743
11
0.00000
0.00000
-0.03085
12
0.00000
0.00000
0.06606
13
0.00000
0.00000
0.06298
14
0.00000
0.00000
-0.01792
15
0.00000
0.00000
0.05864
16
0.00000
0.00000
0.04185
17
0.00000
0.00000
-0.12112
18
0.00000
0.00000
-0.08543
19
0.00000
0.00000
0.05374
20
0.00000
0.00000
0.11947
21
0.00000
0.00000
0.02107
22
0.00000
0.00000
0.07906
23
0.00000
0.00000
-0.06148
24
0.00000
0.00000
-0.11406
25
0.00000
0.00000
0.10994
26
0.00000
0.00000
0.10606
27
0.00000
0.00000
-0.04014
28
0.00000
0.00000
0.06767
29
0.00000
0.00000
0.09693
30
0.00000
0.00000
-0.16165
31
0.00000
0.00000
-0.22917
32
0.00000
0.00000
0.20859