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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
0.19100
Eigenvectors
#
X
Y
Z
1
0.00000
0.04542
-0.02225
2
0.00000
-0.04542
-0.02225
3
0.00000
-0.02228
-0.01628
4
0.00000
0.02228
-0.01628
5
0.00000
0.11755
-0.05173
6
0.00000
-0.11755
-0.05173
7
0.00000
0.00388
0.05326
8
0.00000
-0.00388
0.05326
9
0.00000
0.02677
0.04993
10
0.00000
-0.02677
0.04993
11
0.00000
-0.01337
-0.00260
12
0.00000
0.01337
-0.00260
13
0.00000
-0.02324
-0.02053
14
0.00000
0.02324
-0.02053
15
0.00000
-0.01575
0.00450
16
0.00000
0.01575
0.00450
17
0.00000
0.00961
-0.00768
18
0.00000
-0.00961
-0.00768
19
0.00000
0.00099
-0.00892
20
0.00000
-0.00099
-0.00892
21
0.00000
-0.01815
0.16007
22
0.00000
0.01815
0.16007
23
0.00000
-0.03259
-0.01490
24
0.00000
0.03259
-0.01490
25
0.00000
-0.27643
0.11165
26
0.00000
0.27643
0.11165
27
0.00000
-0.12101
0.14568
28
0.00000
0.12101
0.14568
29
0.00000
0.01202
-0.07855
30
0.00000
-0.01202
-0.07855
31
0.00000
-0.08200
-0.05841
32
0.00000
0.08200
-0.05841