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)
-0.21100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00384
0.03540
2
0.00000
0.00384
-0.03540
3
0.00000
-0.04074
-0.02054
4
0.00000
-0.04074
0.02054
5
0.00000
0.03691
-0.05833
6
0.00000
0.03691
0.05833
7
0.00000
0.01352
0.00818
8
0.00000
0.01352
-0.00818
9
0.00000
-0.05223
0.07140
10
0.00000
-0.05223
-0.07140
11
0.00000
0.05654
0.00067
12
0.00000
0.05654
-0.00067
13
0.00000
0.02164
-0.03994
14
0.00000
0.02164
0.03994
15
0.00000
-0.03493
0.07564
16
0.00000
-0.03493
-0.07564
17
0.00000
-0.00233
-0.01038
18
0.00000
-0.00233
0.01038
19
0.00000
0.00065
0.00576
20
0.00000
0.00065
-0.00576
21
0.00000
-0.03858
-0.16613
22
0.00000
-0.03858
0.16613
23
0.00000
-0.18800
-0.14968
24
0.00000
-0.18800
0.14968
25
0.00000
-0.01164
-0.03163
26
0.00000
-0.01164
0.03163
27
0.00000
0.22819
-0.08675
28
0.00000
0.22819
0.08675
29
0.00000
-0.00573
0.09132
30
0.00000
-0.00573
-0.09132
31
0.00000
-0.01832
-0.00611
32
0.00000
-0.01832
0.00611