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)
0.74400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01011
0.05675
2
0.00000
0.01011
-0.05674
3
0.00000
-0.02762
-0.03402
4
0.00000
-0.02762
0.03402
5
0.00000
0.00928
-0.06906
6
0.00000
0.00928
0.06906
7
0.00000
0.01426
0.01456
8
0.00000
0.01426
-0.01456
9
0.00000
-0.04226
0.06800
10
0.00000
-0.04226
-0.06800
11
0.00000
0.05586
0.01760
12
0.00000
0.05586
-0.01760
13
0.00000
0.04711
-0.03771
14
0.00000
0.04711
0.03771
15
0.00000
-0.04741
0.05135
16
0.00000
-0.04741
-0.05135
17
0.00000
-0.00786
-0.01947
18
0.00000
-0.00786
0.01947
19
0.00000
0.00578
0.01884
20
0.00000
0.00578
-0.01884
21
0.00000
-0.05589
-0.10346
22
0.00000
-0.05589
0.10347
23
0.00000
-0.21424
-0.15096
24
0.00000
-0.21424
0.15096
25
0.00000
-0.07070
0.02087
26
0.00000
-0.07070
-0.02087
27
0.00000
0.19025
-0.05703
28
0.00000
0.19026
0.05703
29
0.00000
-0.00666
0.11201
30
0.00000
-0.00666
-0.11200
31
0.00000
-0.04826
-0.00833
32
0.00000
-0.04826
0.00833