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)
1.89000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07078
0.03314
2
0.00000
0.07078
0.03314
3
0.00000
-0.00211
0.02785
4
0.00000
0.00211
0.02785
5
0.00000
-0.01968
-0.09457
6
0.00000
0.01968
-0.09457
7
0.00000
0.08198
-0.04625
8
0.00000
-0.08198
-0.04625
9
0.00000
-0.00657
0.03808
10
0.00000
0.00657
0.03808
11
0.00000
0.00318
-0.02670
12
0.00000
-0.00318
-0.02670
13
0.00000
0.05662
0.00427
14
0.00000
-0.05662
0.00427
15
0.00000
-0.02626
0.00761
16
0.00000
0.02626
0.00761
17
0.00000
-0.01338
0.03661
18
0.00000
0.01338
0.03661
19
0.00000
-0.03637
-0.01765
20
0.00000
0.03637
-0.01765
21
0.00000
-0.02599
0.09780
22
0.00000
0.02599
0.09780
23
0.00000
0.08891
0.02613
24
0.00000
-0.08891
0.02613
25
0.00000
0.00314
0.03039
26
0.00000
-0.00314
0.03039
27
0.00000
-0.16633
0.13345
28
0.00000
0.16633
0.13345
29
0.00000
-0.01363
0.14133
30
0.00000
0.01363
0.14133
31
0.00000
0.02312
0.01856
32
0.00000
-0.02312
0.01856