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)
-0.11500
Eigenvectors
#
X
Y
Z
1
0.00000
0.01276
-0.05716
2
0.00000
-0.01276
-0.05716
3
0.00000
0.06863
-0.01342
4
0.00000
-0.06863
-0.01342
5
0.00000
0.00415
-0.05886
6
0.00000
-0.00415
-0.05886
7
0.00000
0.01343
0.01728
8
0.00000
-0.01343
0.01728
9
0.00000
-0.00376
-0.07609
10
0.00000
0.00376
-0.07609
11
0.00000
0.09062
0.03832
12
0.00000
-0.09062
0.03832
13
0.00000
0.00441
0.02260
14
0.00000
-0.00441
0.02260
15
0.00000
0.06617
0.06240
16
0.00000
-0.06617
0.06240
17
0.00000
0.00144
0.02268
18
0.00000
-0.00144
0.02268
19
0.00000
-0.00149
0.02522
20
0.00000
0.00149
0.02522
21
0.00000
0.06649
0.10622
22
0.00000
-0.06649
0.10622
23
0.00000
0.11819
0.05429
24
0.00000
-0.11819
0.05429
25
0.00000
-0.06252
0.06040
26
0.00000
0.06252
0.06040
27
0.00000
-0.01028
-0.07205
28
0.00000
0.01028
-0.07205
29
0.00000
0.00221
0.02949
30
0.00000
-0.00221
0.02949
31
0.00000
-0.00327
0.02440
32
0.00000
0.00327
0.02440