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)
-0.00800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00006
-0.00001
2
0.00000
-0.00006
0.00001
3
0.00000
-0.00019
0.00016
4
0.00000
-0.00019
-0.00016
5
0.00000
0.00004
0.00008
6
0.00000
0.00004
-0.00008
7
0.00000
0.00040
-0.00026
8
0.00000
0.00040
0.00026
9
0.00000
-0.00010
-0.00022
10
0.00000
-0.00009
0.00022
11
0.00000
0.00410
-0.00693
12
0.00000
0.00410
0.00693
13
0.00000
-0.00039
-0.00106
14
0.00000
-0.00039
0.00106
15
0.00000
-0.00256
0.00044
16
0.00000
-0.00256
-0.00044
17
0.00000
-0.01642
0.00272
18
0.00000
-0.01642
-0.00272
19
0.00000
0.02573
-0.04934
20
0.00000
0.02573
0.04934
21
0.00000
0.03021
-0.00018
22
0.00000
0.03021
0.00018
23
0.00000
-0.04775
0.07666
24
0.00000
-0.04775
-0.07665
25
0.00000
0.00581
0.01071
26
0.00000
0.00581
-0.01071
27
0.00000
0.00118
0.00214
28
0.00000
0.00118
-0.00214
29
0.00000
0.19689
-0.00634
30
0.00000
0.19689
0.00634
31
0.00000
-0.31227
0.55637
32
0.00000
-0.31227
-0.55636