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)
0.42000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03140
0.01392
2
0.00000
0.03140
-0.01392
3
0.00000
0.03428
0.00179
4
0.00000
0.03428
-0.00179
5
0.00000
-0.00909
0.02663
6
0.00000
-0.00909
-0.02663
7
0.00000
0.03115
0.01867
8
0.00000
0.03115
-0.01867
9
0.00000
0.09779
0.05525
10
0.00000
0.09779
-0.05525
11
0.00000
0.01610
-0.04010
12
0.00000
0.01610
0.04010
13
0.00000
-0.08059
-0.00026
14
0.00000
-0.08059
0.00026
15
0.00000
-0.10191
0.00848
16
0.00000
-0.10191
-0.00848
17
0.00000
0.00459
0.02208
18
0.00000
0.00459
-0.02208
19
0.00000
-0.02523
0.03498
20
0.00000
-0.02523
-0.03498
21
0.00000
-0.10284
0.08211
22
0.00000
-0.10284
-0.08211
23
0.00000
0.06161
-0.01170
24
0.00000
0.06161
0.01170
25
0.00000
-0.04998
-0.01676
26
0.00000
-0.04998
0.01676
27
0.00000
0.10662
0.04924
28
0.00000
0.10662
-0.04924
29
0.00000
0.00507
-0.01515
30
0.00000
0.00507
0.01515
31
0.00000
-0.00266
0.04826
32
0.00000
-0.00266
-0.04826