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)
0.58100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00979
0.05593
2
0.00000
0.00979
-0.05593
3
0.00000
-0.00851
-0.00236
4
0.00000
-0.00851
0.00236
5
0.00000
-0.03228
0.03879
6
0.00000
-0.03228
-0.03879
7
0.00000
-0.01527
-0.02757
8
0.00000
-0.01527
0.02757
9
0.00000
-0.00069
-0.02311
10
0.00000
-0.00069
0.02311
11
0.00000
0.02817
0.03871
12
0.00000
0.02817
-0.03871
13
0.00000
-0.01824
0.00687
14
0.00000
-0.01824
-0.00687
15
0.00000
0.00035
-0.03896
16
0.00000
0.00035
0.03896
17
0.00000
-0.01210
-0.04477
18
0.00000
-0.01210
0.04477
19
0.00000
0.00429
0.02771
20
0.00000
0.00429
-0.02771
21
0.00000
0.00234
-0.34952
22
0.00000
0.00234
0.34952
23
0.00000
0.20065
0.14265
24
0.00000
0.20065
-0.14265
25
0.00000
-0.04300
0.02488
26
0.00000
-0.04300
-0.02488
27
0.00000
0.17681
-0.12716
28
0.00000
0.17681
0.12716
29
0.00000
-0.01329
-0.16298
30
0.00000
-0.01329
0.16298
31
0.00000
0.20648
0.14621
32
0.00000
0.20648
-0.14621