Charge: -1
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-1
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.12600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00011
-0.00005
2
0.00000
-0.00011
0.00005
3
0.00000
0.00012
0.00004
4
0.00000
0.00012
-0.00004
5
0.00000
0.00221
-0.00140
6
0.00000
0.00221
0.00140
7
0.00000
-0.00015
-0.00007
8
0.00000
-0.00015
0.00007
9
0.00000
0.02372
0.04433
10
0.00000
0.02372
-0.04433
11
0.00000
-0.00128
0.00152
12
0.00000
-0.00128
-0.00152
13
0.00000
-0.01332
-0.02366
14
0.00000
-0.01332
0.02366
15
0.00000
0.01010
0.00123
16
0.00000
0.01010
-0.00123
17
0.00000
0.00039
0.00010
18
0.00000
0.00039
-0.00010
19
0.00000
0.00095
-0.00189
20
0.00000
0.00095
0.00189
21
0.00000
-0.12382
-0.00170
22
0.00000
-0.12382
0.00170
23
0.00000
0.01339
-0.02095
24
0.00000
0.01339
0.02095
25
0.00000
0.14890
0.27133
26
0.00000
0.14890
-0.27133
27
0.00000
-0.29287
-0.50765
28
0.00000
-0.29287
0.50765
29
0.00000
-0.00337
-0.00026
30
0.00000
-0.00337
0.00026
31
0.00000
-0.01165
0.02108
32
0.00000
-0.01165
-0.02108