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)
0.00000
Diff mu Z
(Debye)
0.69100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00004
-0.00011
2
0.00000
-0.00004
-0.00011
3
0.00000
0.00086
0.00005
4
0.00000
-0.00086
0.00005
5
0.00000
0.00015
0.00037
6
0.00000
-0.00015
0.00037
7
0.00000
-0.00040
0.00057
8
0.00000
0.00040
0.00057
9
0.00000
-0.01423
-0.02213
10
0.00000
0.01423
-0.02213
11
0.00000
-0.00831
0.01513
12
0.00000
0.00831
0.01513
13
0.00000
-0.00903
-0.01975
14
0.00000
0.00903
-0.01975
15
0.00000
-0.02888
-0.00005
16
0.00000
0.02888
-0.00005
17
0.00000
0.00802
0.00136
18
0.00000
-0.00802
0.00136
19
0.00000
0.01810
-0.03095
20
0.00000
-0.01810
-0.03095
21
0.00000
0.31747
0.00112
22
0.00000
-0.31747
0.00112
23
0.00000
0.09733
-0.16006
24
0.00000
-0.09733
-0.16006
25
0.00000
0.11627
0.21269
26
0.00000
-0.11627
0.21269
27
0.00000
0.15026
0.25797
28
0.00000
-0.15026
0.25797
29
0.00000
-0.08132
0.00061
30
0.00000
0.08132
0.00061
31
0.00000
-0.20183
0.34865
32
0.00000
0.20183
0.34865