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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
0.30600
Eigenvectors
#
X
Y
Z
1
0.00000
0.01874
0.04083
2
0.00000
-0.01874
0.04083
3
0.00000
0.01447
0.01770
4
0.00000
-0.01447
0.01770
5
0.00000
0.07599
0.03461
6
0.00000
-0.07599
0.03461
7
0.00000
0.00453
-0.01320
8
0.00000
-0.00453
-0.01320
9
0.00000
0.01352
0.00708
10
0.00000
-0.01352
0.00708
11
0.00000
0.03048
0.01764
12
0.00000
-0.03047
0.01765
13
0.00000
0.11148
0.01951
14
0.00000
-0.11148
0.01951
15
0.00000
0.08768
-0.00181
16
0.00000
-0.08768
-0.00181
17
0.00000
-0.01932
-0.04499
18
0.00000
0.01932
-0.04499
19
0.00000
-0.00208
-0.06821
20
0.00000
0.00208
-0.06821
21
0.00000
0.08933
-0.04642
22
0.00000
-0.08933
-0.04642
23
0.00000
0.00379
-0.00126
24
0.00000
-0.00379
-0.00125
25
0.00000
0.12806
0.01214
26
0.00000
-0.12806
0.01214
27
0.00000
-0.02890
0.03282
28
0.00000
0.02890
0.03282
29
0.00000
-0.01768
-0.04756
30
0.00000
0.01768
-0.04756
31
0.00000
0.01588
-0.05899
32
0.00000
-0.01588
-0.05899