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)
0.26600
Eigenvectors
#
X
Y
Z
1
0.00000
0.09396
0.02139
2
0.00000
-0.09396
0.02139
3
0.00000
0.00452
0.04697
4
0.00000
-0.00452
0.04697
5
0.00000
-0.03644
-0.09678
6
0.00000
0.03644
-0.09678
7
0.00000
-0.08580
-0.01535
8
0.00000
0.08580
-0.01535
9
0.00000
-0.05583
0.04018
10
0.00000
0.05583
0.04018
11
0.00000
0.00970
0.00323
12
0.00000
-0.00970
0.00323
13
0.00000
0.01709
0.01009
14
0.00000
-0.01709
0.01009
15
0.00000
-0.01344
0.00891
16
0.00000
0.01344
0.00891
17
0.00000
0.00098
-0.04334
18
0.00000
-0.00098
-0.04334
19
0.00000
0.02283
0.02989
20
0.00000
-0.02283
0.02989
21
0.00000
-0.01277
-0.02587
22
0.00000
0.01277
-0.02587
23
0.00000
-0.02463
-0.01745
24
0.00000
0.02463
-0.01745
25
0.00000
0.13956
-0.06030
26
0.00000
-0.13956
-0.06030
27
0.00000
-0.07949
0.05186
28
0.00000
0.07949
0.05186
29
0.00000
-0.00148
-0.03963
30
0.00000
0.00148
-0.03963
31
0.00000
0.01893
0.02943
32
0.00000
-0.01893
0.02943