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)
-0.47700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01438
0.04321
2
0.00000
0.01438
-0.04321
3
0.00000
-0.04147
-0.02152
4
0.00000
-0.04147
0.02152
5
0.00000
-0.01090
-0.00989
6
0.00000
-0.01090
0.00989
7
0.00000
0.02930
-0.01829
8
0.00000
0.02930
0.01829
9
0.00000
0.04056
-0.05352
10
0.00000
0.04056
0.05352
11
0.00000
0.01482
-0.02708
12
0.00000
0.01482
0.02708
13
0.00000
-0.05581
0.00857
14
0.00000
-0.05581
-0.00857
15
0.00000
0.02690
0.06431
16
0.00000
0.02690
-0.06431
17
0.00000
-0.01837
0.02417
18
0.00000
-0.01837
-0.02417
19
0.00000
0.01734
0.01011
20
0.00000
0.01734
-0.01011
21
0.00000
0.03089
-0.24552
22
0.00000
0.03089
0.24552
23
0.00000
-0.03929
-0.06710
24
0.00000
-0.03929
0.06710
25
0.00000
0.22479
-0.14664
26
0.00000
0.22479
0.14664
27
0.00000
-0.27689
0.13033
28
0.00000
-0.27689
-0.13033
29
0.00000
-0.02246
-0.02346
30
0.00000
-0.02246
0.02346
31
0.00000
-0.11640
-0.06670
32
0.00000
-0.11640
0.06670