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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10902
0.00000
0.00000
2
0.10902
0.00000
0.00000
3
0.05433
0.00000
0.00000
4
-0.05433
0.00000
0.00000
5
0.07693
0.00000
0.00000
6
-0.07693
0.00000
0.00000
7
0.00506
0.00000
0.00000
8
-0.00506
0.00000
0.00000
9
-0.01962
0.00000
0.00000
10
0.01962
0.00000
0.00000
11
-0.02904
0.00000
0.00000
12
0.02904
0.00000
0.00000
13
-0.02356
0.00000
0.00000
14
0.02356
0.00000
0.00000
15
0.00778
0.00000
0.00000
16
-0.00778
0.00000
0.00000
17
-0.05198
0.00000
0.00000
18
0.05198
0.00000
0.00000
19
-0.04230
0.00000
0.00000
20
0.04230
0.00000
0.00000
21
0.07190
0.00000
0.00000
22
-0.07190
0.00000
0.00000
23
0.06851
0.00000
0.00000
24
-0.06851
0.00000
0.00000
25
0.00153
0.00000
0.00000
26
-0.00153
0.00000
0.00000
27
-0.11145
0.00000
0.00000
28
0.11145
0.00000
0.00000
29
0.29730
0.00000
0.00000
30
-0.29730
0.00000
0.00000
31
0.25014
0.00000
0.00000
32
-0.25014
0.00000
0.00000