Charge: 2
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+2
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.18300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01826
0.04279
2
0.00000
-0.01826
-0.04279
3
0.00000
-0.04637
0.03208
4
0.00000
-0.04637
-0.03208
5
0.00000
0.03218
0.06088
6
0.00000
0.03218
-0.06088
7
0.00000
0.04815
-0.02435
8
0.00000
0.04815
0.02435
9
0.00000
0.02315
0.05594
10
0.00000
0.02315
-0.05594
11
0.00000
-0.08544
0.01811
12
0.00000
-0.08544
-0.01811
13
0.00000
0.03867
0.01925
14
0.00000
0.03867
-0.01925
15
0.00000
-0.03340
-0.02183
16
0.00000
-0.03340
0.02183
17
0.00000
0.05089
-0.06107
18
0.00000
0.05089
0.06107
19
0.00000
-0.00046
-0.04532
20
0.00000
-0.00046
0.04532
21
0.00000
-0.03297
-0.09944
22
0.00000
-0.03297
0.09944
23
0.00000
-0.12111
-0.00403
24
0.00000
-0.12111
0.00403
25
0.00000
0.09285
-0.01105
26
0.00000
0.09285
0.01105
27
0.00000
-0.03631
0.08972
28
0.00000
-0.03631
-0.08972
29
0.00000
0.05188
-0.09466
30
0.00000
0.05188
0.09466
31
0.00000
-0.06272
-0.08173
32
0.00000
-0.06272
0.08173