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)
0.52800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03473
-0.05130
2
0.00000
-0.03473
0.05130
3
0.00000
0.05897
-0.02184
4
0.00000
0.05897
0.02184
5
0.00000
-0.00079
-0.01716
6
0.00000
-0.00079
0.01716
7
0.00000
0.08084
-0.01132
8
0.00000
0.08084
0.01132
9
0.00000
-0.00353
0.02937
10
0.00000
-0.00353
-0.02937
11
0.00000
-0.02441
0.04854
12
0.00000
-0.02441
-0.04854
13
0.00000
0.02740
-0.01771
14
0.00000
0.02740
0.01771
15
0.00000
-0.03864
-0.00645
16
0.00000
-0.03864
0.00645
17
0.00000
-0.10263
0.01425
18
0.00000
-0.10263
-0.01425
19
0.00000
0.02804
-0.01950
20
0.00000
0.02804
0.01950
21
0.00000
-0.04112
-0.10522
22
0.00000
-0.04112
0.10522
23
0.00000
0.01863
0.07174
24
0.00000
0.01863
-0.07174
25
0.00000
0.14404
-0.08566
26
0.00000
0.14404
0.08566
27
0.00000
-0.07478
0.06959
28
0.00000
-0.07478
-0.06959
29
0.00000
-0.09755
0.06843
30
0.00000
-0.09755
-0.06843
31
0.00000
0.16379
0.06670
32
0.00000
0.16379
-0.06670