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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.24600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01968
-0.05441
2
0.00000
-0.01968
0.05441
3
0.00000
0.03571
0.01752
4
0.00000
0.03571
-0.01752
5
0.00000
0.02625
0.02132
6
0.00000
0.02625
-0.02132
7
0.00000
-0.02408
0.02113
8
0.00000
-0.02408
-0.02113
9
0.00000
-0.04538
0.05457
10
0.00000
-0.04538
-0.05457
11
0.00000
-0.01506
0.02019
12
0.00000
-0.01506
-0.02019
13
0.00000
0.04834
-0.01488
14
0.00000
0.04834
0.01488
15
0.00000
-0.02396
-0.05062
16
0.00000
-0.02396
0.05062
17
0.00000
0.01751
-0.01616
18
0.00000
0.01751
0.01616
19
0.00000
-0.01658
-0.01394
20
0.00000
-0.01658
0.01394
21
0.00000
-0.02774
0.23956
22
0.00000
-0.02774
-0.23956
23
0.00000
0.02674
0.05226
24
0.00000
0.02674
-0.05226
25
0.00000
-0.23058
0.13850
26
0.00000
-0.23058
-0.13850
27
0.00000
0.30699
-0.14651
28
0.00000
0.30699
0.14651
29
0.00000
0.02203
0.00510
30
0.00000
0.02203
-0.00510
31
0.00000
0.10430
0.05344
32
0.00000
0.10430
-0.05344