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)
0.92800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04813
0.02560
2
0.00000
0.04813
0.02560
3
0.00000
-0.01565
-0.03654
4
0.00000
0.01565
-0.03654
5
0.00000
0.05057
-0.04002
6
0.00000
-0.05057
-0.04002
7
0.00000
0.02294
-0.00280
8
0.00000
-0.02294
-0.00280
9
0.00000
0.00771
0.01490
10
0.00000
-0.00771
0.01490
11
0.00000
0.07310
0.02990
12
0.00000
-0.07310
0.02990
13
0.00000
-0.06170
0.02469
14
0.00000
0.06170
0.02469
15
0.00000
-0.01036
0.01434
16
0.00000
0.01036
0.01434
17
0.00000
-0.01979
-0.00717
18
0.00000
0.01979
-0.00717
19
0.00000
0.03447
0.01518
20
0.00000
-0.03447
0.01518
21
0.00000
-0.01031
-0.21059
22
0.00000
0.01031
-0.21059
23
0.00000
-0.29096
-0.19734
24
0.00000
0.29096
-0.19734
25
0.00000
0.18525
-0.11629
26
0.00000
-0.18525
-0.11629
27
0.00000
0.00645
0.02263
28
0.00000
-0.00645
0.02263
29
0.00000
-0.02194
0.08889
30
0.00000
0.02194
0.08889
31
0.00000
-0.05885
-0.04049
32
0.00000
0.05885
-0.04049