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)
-0.68200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00641
-0.01163
2
0.00000
-0.00641
-0.01163
3
0.00000
-0.00294
-0.04084
4
0.00000
0.00294
-0.04084
5
0.00000
0.01270
0.01835
6
0.00000
-0.01270
0.01835
7
0.00000
0.03049
-0.07369
8
0.00000
-0.03049
-0.07369
9
0.00000
0.00312
0.03227
10
0.00000
-0.00312
0.03227
11
0.00000
0.00743
-0.00686
12
0.00000
-0.00743
-0.00686
13
0.00000
0.02387
0.02017
14
0.00000
-0.02387
0.02017
15
0.00000
0.00576
0.00330
16
0.00000
-0.00576
0.00330
17
0.00000
0.14748
-0.01675
18
0.00000
-0.14748
-0.01675
19
0.00000
0.01276
0.07408
20
0.00000
-0.01276
0.07408
21
0.00000
0.00778
-0.01040
22
0.00000
-0.00778
-0.01040
23
0.00000
0.03836
0.01157
24
0.00000
-0.03836
0.01157
25
0.00000
0.03783
0.01339
26
0.00000
-0.03783
0.01339
27
0.00000
0.00276
0.03357
28
0.00000
-0.00276
0.03357
29
0.00000
0.14655
-0.03869
30
0.00000
-0.14655
-0.03869
31
0.00000
-0.09661
0.00971
32
0.00000
0.09661
0.00971