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)
-1.36800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00018
-0.00034
2
0.00000
0.00018
0.00034
3
0.00000
0.00087
0.00047
4
0.00000
0.00087
-0.00047
5
0.00000
0.00033
0.00005
6
0.00000
0.00033
-0.00005
7
0.00000
0.00060
-0.00074
8
0.00000
0.00060
0.00074
9
0.00000
0.00118
0.00201
10
0.00000
0.00118
-0.00201
11
0.00000
-0.00304
0.00398
12
0.00000
-0.00304
-0.00398
13
0.00000
-0.00058
-0.00130
14
0.00000
-0.00058
0.00130
15
0.00000
-0.00224
-0.00004
16
0.00000
-0.00224
0.00004
17
0.00000
0.00835
-0.00107
18
0.00000
0.00835
0.00107
19
0.00000
-0.02640
0.04886
20
0.00000
-0.02640
-0.04886
21
0.00000
0.02131
0.00040
22
0.00000
0.02131
-0.00040
23
0.00000
0.02699
-0.04261
24
0.00000
0.02699
0.04261
25
0.00000
0.00566
0.01093
26
0.00000
0.00566
-0.01093
27
0.00000
-0.01424
-0.02429
28
0.00000
-0.01424
0.02429
29
0.00000
-0.12489
0.00178
30
0.00000
-0.12489
-0.00178
31
0.00000
0.33231
-0.57280
32
0.00000
0.33231
0.57280