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)
0.00000
Diff mu Z
(Debye)
0.93200
Eigenvectors
#
X
Y
Z
1
0.00000
0.03017
-0.04389
2
0.00000
-0.03017
-0.04389
3
0.00000
0.00916
0.04658
4
0.00000
-0.00916
0.04658
5
0.00000
-0.02411
0.04653
6
0.00000
0.02411
0.04653
7
0.00000
0.00112
0.00519
8
0.00000
-0.00112
0.00519
9
0.00000
-0.03330
-0.00919
10
0.00000
0.03330
-0.00919
11
0.00000
-0.05319
-0.00742
12
0.00000
0.05319
-0.00742
13
0.00000
0.04807
-0.00440
14
0.00000
-0.04807
-0.00440
15
0.00000
0.00521
-0.05962
16
0.00000
-0.00521
-0.05962
17
0.00000
0.00089
-0.04725
18
0.00000
-0.00089
-0.04725
19
0.00000
-0.02327
0.01475
20
0.00000
0.02327
0.01475
21
0.00000
0.00556
0.30907
22
0.00000
-0.00556
0.30907
23
0.00000
0.21473
0.16276
24
0.00000
-0.21473
0.16276
25
0.00000
-0.18213
0.12780
26
0.00000
0.18213
0.12780
27
0.00000
0.06511
-0.07449
28
0.00000
-0.06511
-0.07449
29
0.00000
0.00353
0.10110
30
0.00000
-0.00353
0.10110
31
0.00000
0.06993
0.07299
32
0.00000
-0.06993
0.07299