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)
2.25300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00042
-0.00041
2
0.00000
0.00042
0.00041
3
0.00000
-0.00071
-0.00039
4
0.00000
-0.00071
0.00039
5
0.00000
-0.00043
0.00008
6
0.00000
-0.00043
-0.00008
7
0.00000
0.00098
0.00056
8
0.00000
0.00098
-0.00056
9
0.00000
0.00118
0.00127
10
0.00000
0.00118
-0.00127
11
0.00000
0.02132
-0.03573
12
0.00000
0.02132
0.03573
13
0.00000
0.00348
0.00728
14
0.00000
0.00348
-0.00728
15
0.00000
0.01832
0.00068
16
0.00000
0.01832
-0.00068
17
0.00000
0.03271
-0.00003
18
0.00000
0.03271
0.00003
19
0.00000
0.00047
-0.00125
20
0.00000
0.00047
0.00125
21
0.00000
-0.20929
-0.00012
22
0.00000
-0.20929
0.00012
23
0.00000
-0.25784
0.42303
24
0.00000
-0.25784
-0.42303
25
0.00000
-0.04435
-0.08102
26
0.00000
-0.04435
0.08102
27
0.00000
-0.01154
-0.02019
28
0.00000
-0.01154
0.02019
29
0.00000
-0.39935
-0.00647
30
0.00000
-0.39935
0.00647
31
0.00000
-0.00315
0.00799
32
0.00000
-0.00315
-0.00799