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)
-768.42040
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)
-0.31900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00697
-0.01386
2
0.00000
-0.00697
-0.01386
3
0.00000
-0.00459
-0.04509
4
0.00000
0.00459
-0.04509
5
0.00000
0.01432
0.01880
6
0.00000
-0.01432
0.01880
7
0.00000
0.02768
-0.07277
8
0.00000
-0.02768
-0.07277
9
0.00000
0.00375
0.03111
10
0.00000
-0.00375
0.03111
11
0.00000
0.00635
-0.00832
12
0.00000
-0.00635
-0.00832
13
0.00000
0.02393
0.02195
14
0.00000
-0.02393
0.02195
15
0.00000
-0.00004
0.00185
16
0.00000
0.00004
0.00185
17
0.00000
0.14613
-0.01247
18
0.00000
-0.14613
-0.01247
19
0.00000
0.01182
0.07654
20
0.00000
-0.01182
0.07654
21
0.00000
0.00212
-0.01213
22
0.00000
-0.00212
-0.01213
23
0.00000
0.04206
0.01283
24
0.00000
-0.04206
0.01283
25
0.00000
0.04278
0.01196
26
0.00000
-0.04278
0.01196
27
0.00000
0.00258
0.03299
28
0.00000
-0.00258
0.03299
29
0.00000
0.14403
-0.02660
30
0.00000
-0.14403
-0.02660
31
0.00000
-0.10086
0.00795
32
0.00000
0.10086
0.00795