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)
-0.53100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00080
0.05947
2
0.00000
0.00080
0.05947
3
0.00000
-0.06096
-0.03302
4
0.00000
0.06096
-0.03302
5
0.00000
0.01929
0.01904
6
0.00000
-0.01929
0.01904
7
0.00000
-0.06213
-0.05116
8
0.00000
0.06213
-0.05116
9
0.00000
-0.01289
-0.02566
10
0.00000
0.01289
-0.02566
11
0.00000
0.02797
-0.02521
12
0.00000
-0.02797
-0.02521
13
0.00000
-0.03317
-0.01960
14
0.00000
0.03317
-0.01960
15
0.00000
0.03302
0.01534
16
0.00000
-0.03302
0.01534
17
0.00000
0.00880
0.03281
18
0.00000
-0.00880
0.03281
19
0.00000
0.06931
-0.01831
20
0.00000
-0.06931
-0.01831
21
0.00000
0.03275
0.15396
22
0.00000
-0.03275
0.15396
23
0.00000
0.10426
0.02074
24
0.00000
-0.10426
0.02074
25
0.00000
-0.09809
0.01916
26
0.00000
0.09809
0.01916
27
0.00000
-0.11332
0.03405
28
0.00000
0.11332
0.03405
29
0.00000
0.00835
0.26478
30
0.00000
-0.00835
0.26478
31
0.00000
0.20528
0.05850
32
0.00000
-0.20528
0.05850