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)
0.15300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00881
0.03573
2
0.00000
-0.00881
0.03573
3
0.00000
-0.00003
0.00569
4
0.00000
0.00003
0.00569
5
0.00000
-0.00486
-0.01215
6
0.00000
0.00486
-0.01215
7
0.00000
-0.03518
-0.00395
8
0.00000
0.03518
-0.00395
9
0.00000
-0.00067
-0.00087
10
0.00000
0.00067
-0.00087
11
0.00000
0.01575
0.00559
12
0.00000
-0.01575
0.00559
13
0.00000
-0.00958
0.00996
14
0.00000
0.00958
0.00996
15
0.00000
0.00027
-0.02952
16
0.00000
-0.00027
-0.02952
17
0.00000
0.00499
0.00638
18
0.00000
-0.00499
0.00638
19
0.00000
-0.02247
-0.01545
20
0.00000
0.02247
-0.01545
21
0.00000
0.00088
-0.27995
22
0.00000
-0.00088
-0.27995
23
0.00000
0.19590
0.12086
24
0.00000
-0.19590
0.12086
25
0.00000
-0.19133
0.11215
26
0.00000
0.19133
0.11215
27
0.00000
0.03568
-0.02024
28
0.00000
-0.03568
-0.02024
29
0.00000
0.00928
0.26669
30
0.00000
-0.00928
0.26669
31
0.00000
-0.36992
-0.21620
32
0.00000
0.36992
-0.21620