Charge: 0
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.08200
Diff mu Y
(Debye)
-0.65100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02302
0.03362
0.00000
2
-0.00302
0.06060
0.00000
3
-0.02483
-0.05112
0.00000
4
-0.01105
-0.00783
0.00000
5
0.02451
0.01353
0.00000
6
0.02957
0.00059
0.00000
7
0.02885
0.02318
0.00000
8
-0.01202
-0.00072
0.00000
9
-0.02481
0.03665
0.00000
10
-0.00561
-0.04378
0.00000
11
-0.03407
-0.02786
0.00000
12
-0.01108
-0.04615
0.00000
13
0.03765
-0.01074
0.00000
14
0.01895
-0.03453
0.00000
15
-0.04804
0.04744
0.00000
16
-0.00577
0.05636
0.00000
17
0.05000
-0.04136
0.00000
18
-0.03069
0.03273
0.00000
19
-0.02573
-0.03271
0.00000
20
0.08265
0.01103
0.00000
21
-0.01192
0.07339
0.00000
22
-0.04144
-0.08827
0.00000
23
0.01922
0.18145
0.00000
24
0.08824
-0.15790
0.00000
25
-0.08149
-0.24835
0.00000
26
-0.00507
-0.15824
0.00000
27
0.12864
-0.16001
0.00000
28
0.01414
0.06555
0.00000
29
-0.27711
-0.09771
0.00000
30
-0.18083
0.19292
0.00000
31
0.05445
-0.03854
0.00000
32
0.14479
0.21056
0.00000