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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.12600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
-0.06779
0.03273
2
-0.00001
-0.06779
-0.03273
3
-0.00005
0.00907
0.08506
4
0.00005
0.00907
-0.08506
5
0.00004
-0.02954
0.00044
6
-0.00004
-0.02954
-0.00045
7
-0.00001
0.07310
0.05137
8
0.00001
0.07310
-0.05137
9
-0.00003
-0.00834
0.01374
10
0.00003
-0.00834
-0.01374
11
0.00001
0.01712
0.01377
12
-0.00001
0.01713
-0.01377
13
0.00000
-0.00669
-0.06714
14
0.00000
-0.00669
0.06714
15
0.00000
0.06553
-0.03065
16
0.00000
0.06553
0.03065
17
0.00002
0.00886
0.03178
18
-0.00002
0.00888
-0.03178
19
-0.00002
-0.05597
0.05428
20
0.00002
-0.05597
-0.05428
21
0.00000
0.06601
-0.00696
22
0.00000
0.06601
0.00696
23
0.00006
-0.06597
-0.03797
24
-0.00006
-0.06596
0.03797
25
-0.00003
-0.02358
-0.05795
26
0.00003
-0.02357
0.05795
27
-0.00009
-0.01978
0.02018
28
0.00009
-0.01978
-0.02019
29
0.00003
0.00576
-0.06840
30
-0.00003
0.00578
0.06841
31
-0.00006
-0.02640
0.07129
32
0.00006
-0.02641
-0.07129