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)
0.08800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05505
2
0.00000
0.00000
-0.02359
3
0.00000
0.00000
-0.06654
4
0.00000
0.00000
-0.01890
5
0.00000
0.00000
-0.05703
6
0.00000
0.00000
0.02083
7
0.00000
0.00000
-0.09481
8
0.00000
0.00000
-0.07368
9
0.00000
0.00000
-0.04405
10
0.00000
0.00000
-0.00154
11
0.00000
0.00000
-0.03002
12
0.00000
0.00000
0.04574
13
0.00000
0.00000
-0.05324
14
0.00000
0.00000
0.08889
15
0.00000
0.00000
-0.02318
16
0.00000
0.00000
0.10491
17
0.00000
0.00000
0.02710
18
0.00000
0.00000
0.09169
19
0.00000
0.00000
0.09500
20
0.00000
0.00000
0.03482
21
0.00000
0.00000
-0.13244
22
0.00000
0.00000
-0.09117
23
0.00000
0.00000
-0.05785
24
0.00000
0.00000
0.01915
25
0.00000
0.00000
0.05286
26
0.00000
0.00000
-0.05298
27
0.00000
0.00000
0.12992
28
0.00000
0.00000
0.16079
29
0.00000
0.00000
0.14660
30
0.00000
0.00000
0.14234
31
0.00000
0.00000
0.03244
32
0.00000
0.00000
0.03925