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)
0.76600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00162
-0.05658
2
0.00000
0.00163
0.05658
3
0.00000
-0.00518
0.02240
4
0.00000
-0.00519
-0.02240
5
0.00000
-0.01197
0.05757
6
0.00000
-0.01197
-0.05757
7
0.00000
0.00208
0.03578
8
0.00000
0.00209
-0.03578
9
0.00000
0.01604
-0.03230
10
0.00000
0.01605
0.03231
11
0.00000
-0.00065
-0.01023
12
0.00000
-0.00064
0.01023
13
0.00000
0.01952
-0.02592
14
0.00000
0.01952
0.02592
15
0.00000
-0.00783
0.02539
16
0.00000
-0.00783
-0.02539
17
0.00000
-0.03144
-0.10601
18
0.00000
-0.03144
0.10601
19
0.00000
0.04861
0.09386
20
0.00000
0.04861
-0.09386
21
0.00000
-0.00951
-0.03372
22
0.00000
-0.00952
0.03372
23
0.00000
-0.00215
-0.01265
24
0.00000
-0.00216
0.01266
25
0.00000
-0.07360
0.02354
26
0.00000
-0.07361
-0.02354
27
0.00000
-0.05675
0.00526
28
0.00000
-0.05676
-0.00526
29
0.00000
-0.03118
0.17022
30
0.00000
-0.03118
-0.17023
31
0.00000
-0.19377
-0.02854
32
0.00000
-0.19377
0.02854