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)
-0.21300
Eigenvectors
#
X
Y
Z
1
0.00000
0.01786
0.00372
2
0.00000
-0.01786
0.00372
3
0.00000
0.02195
-0.01461
4
0.00000
-0.02195
-0.01461
5
0.00000
0.04091
0.02488
6
0.00000
-0.04091
0.02488
7
0.00000
0.00281
-0.03152
8
0.00000
-0.00281
-0.03152
9
0.00000
0.00554
-0.00855
10
0.00000
-0.00554
-0.00855
11
0.00000
0.00399
0.08884
12
0.00000
-0.00399
0.08884
13
0.00000
-0.01235
-0.09439
14
0.00000
0.01235
-0.09439
15
0.00000
-0.04936
0.00739
16
0.00000
0.04936
0.00739
17
0.00000
-0.02134
-0.00225
18
0.00000
0.02134
-0.00225
19
0.00000
-0.02780
0.01349
20
0.00000
0.02780
0.01349
21
0.00000
-0.05624
0.09328
22
0.00000
0.05624
0.09328
23
0.00000
0.16324
0.19059
24
0.00000
-0.16324
0.19059
25
0.00000
0.21185
-0.22569
26
0.00000
-0.21185
-0.22569
27
0.00000
-0.10067
0.05337
28
0.00000
0.10067
0.05337
29
0.00000
-0.02099
0.05990
30
0.00000
0.02099
0.05990
31
0.00000
-0.08301
-0.01649
32
0.00000
0.08301
-0.01649