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)
0.00000
Diff mu Z
(Debye)
-0.47900
Eigenvectors
#
X
Y
Z
1
0.00000
0.07333
0.00972
2
0.00000
-0.07333
0.00972
3
0.00000
-0.05426
-0.01625
4
0.00000
0.05426
-0.01625
5
0.00000
-0.08203
0.00707
6
0.00000
0.08203
0.00707
7
0.00000
0.04488
0.00844
8
0.00000
-0.04488
0.00844
9
0.00000
0.11819
-0.02693
10
0.00000
-0.11819
-0.02693
11
0.00000
0.04139
0.03020
12
0.00000
-0.04139
0.03020
13
0.00000
0.03409
0.00032
14
0.00000
-0.03409
0.00032
15
0.00000
-0.01751
-0.02476
16
0.00000
0.01751
-0.02476
17
0.00000
-0.01824
-0.01254
18
0.00000
0.01824
-0.01254
19
0.00000
0.03212
0.01255
20
0.00000
-0.03212
0.01255
21
0.00000
-0.01874
0.02644
22
0.00000
0.01874
0.02644
23
0.00000
-0.06225
-0.03722
24
0.00000
0.06225
-0.03722
25
0.00000
-0.03632
0.04096
26
0.00000
0.03632
0.04096
27
0.00000
-0.11095
0.10934
28
0.00000
0.11095
0.10934
29
0.00000
-0.02000
0.02863
30
0.00000
0.02000
0.02863
31
0.00000
-0.02973
-0.02320
32
0.00000
0.02973
-0.02320