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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.05500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00044
0.00012
2
0.00000
0.00044
-0.00012
3
0.00000
-0.00036
0.00016
4
0.00000
-0.00036
-0.00016
5
0.00000
-0.00038
-0.00040
6
0.00000
-0.00038
0.00040
7
0.00000
0.00044
-0.00002
8
0.00000
0.00044
0.00002
9
0.00000
0.01290
0.02202
10
0.00000
0.01290
-0.02202
11
0.00000
0.00606
-0.00750
12
0.00000
0.00606
0.00750
13
0.00000
0.01591
0.02767
14
0.00000
0.01591
-0.02767
15
0.00000
-0.03689
-0.00066
16
0.00000
-0.03689
0.00066
17
0.00000
-0.00264
-0.00054
18
0.00000
-0.00264
0.00054
19
0.00000
-0.00627
0.01260
20
0.00000
-0.00627
-0.01260
21
0.00000
0.42516
0.00161
22
0.00000
0.42516
-0.00161
23
0.00000
-0.06333
0.09976
24
0.00000
-0.06333
-0.09976
25
0.00000
-0.18515
-0.33125
26
0.00000
-0.18515
0.33125
27
0.00000
-0.15068
-0.26190
28
0.00000
-0.15068
0.26190
29
0.00000
0.02322
-0.00095
30
0.00000
0.02322
0.00095
31
0.00000
0.07925
-0.14003
32
0.00000
0.07925
0.14003