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)
0.00000
Diff mu Z
(Debye)
-0.60900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00669
0.06105
2
0.00000
-0.00669
0.06105
3
0.00000
0.00981
-0.01454
4
0.00000
-0.00981
-0.01454
5
0.00000
0.01083
-0.01488
6
0.00000
-0.01083
-0.01488
7
0.00000
0.02638
-0.03108
8
0.00000
-0.02638
-0.03108
9
0.00000
0.01117
-0.00056
10
0.00000
-0.01117
-0.00056
11
0.00000
0.01656
0.02189
12
0.00000
-0.01656
0.02189
13
0.00000
-0.01290
-0.00604
14
0.00000
0.01290
-0.00604
15
0.00000
-0.01223
-0.02016
16
0.00000
0.01223
-0.02016
17
0.00000
-0.02027
-0.01592
18
0.00000
0.02027
-0.01592
19
0.00000
0.00684
0.02887
20
0.00000
-0.00684
0.02887
21
0.00000
-0.01235
-0.30302
22
0.00000
0.01235
-0.30302
23
0.00000
0.19810
0.13247
24
0.00000
-0.19810
0.13247
25
0.00000
-0.18436
0.08740
26
0.00000
0.18436
0.08740
27
0.00000
0.11782
-0.06024
28
0.00000
-0.11782
-0.06024
29
0.00000
-0.02447
-0.17127
30
0.00000
0.02447
-0.17127
31
0.00000
0.32101
0.21200
32
0.00000
-0.32101
0.21200