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)
-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)
0.38800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.09947
0.04401
2
0.00000
0.09947
0.04402
3
0.00000
0.07851
-0.01562
4
0.00000
-0.07851
-0.01563
5
0.00000
-0.03807
-0.02748
6
0.00000
0.03807
-0.02748
7
0.00000
-0.03488
0.00166
8
0.00000
0.03488
0.00166
9
0.00000
0.06563
-0.00642
10
0.00000
-0.06563
-0.00642
11
0.00000
-0.02383
-0.01594
12
0.00000
0.02383
-0.01594
13
0.00000
0.04697
-0.01760
14
0.00000
-0.04697
-0.01760
15
0.00000
-0.01609
0.03586
16
0.00000
0.01609
0.03586
17
0.00000
-0.01101
-0.05558
18
0.00000
0.01101
-0.05558
19
0.00000
0.03521
0.03615
20
0.00000
-0.03521
0.03615
21
0.00000
-0.01857
0.01639
22
0.00000
0.01857
0.01638
23
0.00000
-0.04564
-0.02910
24
0.00000
0.04564
-0.02910
25
0.00000
-0.03260
0.02500
26
0.00000
0.03260
0.02500
27
0.00000
-0.16924
0.13253
28
0.00000
0.16924
0.13253
29
0.00000
-0.00928
0.08873
30
0.00000
0.00928
0.08872
31
0.00000
-0.00756
0.01600
32
0.00000
0.00757
0.01600