Charge: -1
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q-1
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
-0.27800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01832
-0.01094
2
0.00000
0.01832
-0.01094
3
0.00000
-0.02216
0.01721
4
0.00000
0.02216
0.01721
5
0.00000
-0.05562
-0.01644
6
0.00000
0.05562
-0.01644
7
0.00000
0.00064
0.02772
8
0.00000
-0.00064
0.02772
9
0.00000
-0.02837
0.00330
10
0.00000
0.02837
0.00330
11
0.00000
-0.00846
-0.08294
12
0.00000
0.00846
-0.08294
13
0.00000
0.00945
0.09907
14
0.00000
-0.00945
0.09907
15
0.00000
0.06128
-0.01293
16
0.00000
-0.06128
-0.01293
17
0.00000
0.01456
-0.00285
18
0.00000
-0.01456
-0.00285
19
0.00000
0.01580
-0.00785
20
0.00000
-0.01580
-0.00785
21
0.00000
0.07066
-0.10093
22
0.00000
-0.07066
-0.10093
23
0.00000
-0.17259
-0.18942
24
0.00000
0.17259
-0.18942
25
0.00000
-0.18514
0.21691
26
0.00000
0.18514
0.21691
27
0.00000
0.01129
-0.02187
28
0.00000
-0.01129
-0.02187
29
0.00000
0.01299
-0.06587
30
0.00000
-0.01299
-0.06587
31
0.00000
0.03730
0.00208
32
0.00000
-0.03730
0.00208