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)
-0.79500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03937
-0.05390
2
0.00000
-0.03937
0.05390
3
0.00000
0.05871
-0.02382
4
0.00000
0.05871
0.02382
5
0.00000
-0.00515
-0.01808
6
0.00000
-0.00515
0.01808
7
0.00000
0.07448
-0.00056
8
0.00000
0.07448
0.00056
9
0.00000
0.00183
0.03820
10
0.00000
0.00183
-0.03820
11
0.00000
-0.01608
0.05417
12
0.00000
-0.01608
-0.05417
13
0.00000
0.02881
-0.01851
14
0.00000
0.02881
0.01851
15
0.00000
-0.04274
-0.01110
16
0.00000
-0.04274
0.01110
17
0.00000
-0.09258
0.01573
18
0.00000
-0.09258
-0.01573
19
0.00000
0.02360
-0.02416
20
0.00000
0.02360
0.02416
21
0.00000
-0.04597
-0.15255
22
0.00000
-0.04597
0.15255
23
0.00000
0.06927
0.10689
24
0.00000
0.06927
-0.10689
25
0.00000
0.12811
-0.07636
26
0.00000
0.12811
0.07636
27
0.00000
-0.07830
0.08537
28
0.00000
-0.07830
-0.08537
29
0.00000
-0.08905
0.11790
30
0.00000
-0.08905
-0.11790
31
0.00000
0.11707
0.03188
32
0.00000
0.11707
-0.03188