Charge: 2
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+2
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)
1.12500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00962
-0.05840
2
0.00000
-0.00962
0.05840
3
0.00000
0.03631
0.00642
4
0.00000
0.03631
-0.00642
5
0.00000
-0.00044
-0.02561
6
0.00000
-0.00044
0.02561
7
0.00000
0.00711
0.00945
8
0.00000
0.00711
-0.00945
9
0.00000
0.00342
0.02165
10
0.00000
0.00342
-0.02165
11
0.00000
-0.03707
-0.03494
12
0.00000
-0.03707
0.03494
13
0.00000
0.02285
0.01176
14
0.00000
0.02285
-0.01176
15
0.00000
0.00624
0.02918
16
0.00000
0.00624
-0.02918
17
0.00000
0.02003
0.05311
18
0.00000
0.02003
-0.05311
19
0.00000
-0.01075
-0.02142
20
0.00000
-0.01075
0.02142
21
0.00000
0.00540
0.30424
22
0.00000
0.00540
-0.30424
23
0.00000
-0.25010
-0.16382
24
0.00000
-0.25010
0.16382
25
0.00000
0.09614
-0.02918
26
0.00000
0.09614
0.02918
27
0.00000
-0.08730
0.07342
28
0.00000
-0.08730
-0.07342
29
0.00000
0.02103
0.20504
30
0.00000
0.02103
-0.20504
31
0.00000
-0.23841
-0.15503
32
0.00000
-0.23841
0.15503