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)
-0.88700
Eigenvectors
#
X
Y
Z
1
0.00000
0.02315
0.05442
2
0.00000
-0.02315
0.05442
3
0.00000
0.05467
0.01333
4
0.00000
-0.05467
0.01333
5
0.00000
-0.04666
-0.10455
6
0.00000
0.04666
-0.10455
7
0.00000
-0.06406
-0.00414
8
0.00000
0.06406
-0.00414
9
0.00000
-0.03935
0.03905
10
0.00000
0.03935
0.03905
11
0.00000
-0.03015
-0.01911
12
0.00000
0.03015
-0.01911
13
0.00000
0.05950
-0.01542
14
0.00000
-0.05950
-0.01542
15
0.00000
-0.01895
0.04428
16
0.00000
0.01895
0.04428
17
0.00000
-0.00546
-0.05559
18
0.00000
0.00546
-0.05559
19
0.00000
0.02907
0.03490
20
0.00000
-0.02907
0.03490
21
0.00000
-0.02052
0.02313
22
0.00000
0.02052
0.02313
23
0.00000
-0.00362
-0.00173
24
0.00000
0.00362
-0.00173
25
0.00000
0.04144
-0.00838
26
0.00000
-0.04144
-0.00838
27
0.00000
-0.11897
0.08354
28
0.00000
0.11897
0.08354
29
0.00000
-0.00639
0.03148
30
0.00000
0.00639
0.03148
31
0.00000
0.00566
0.02470
32
0.00000
-0.00566
0.02470