Charge: 1
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/q+1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.27700
Diff mu Y
(Debye)
-1.09900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00017
0.00029
0.00000
2
0.00005
0.00052
0.00000
3
-0.00121
0.00084
0.00000
4
-0.00036
-0.00069
0.00000
5
-0.00015
0.00021
0.00000
6
0.00015
0.00000
0.00000
7
0.03108
0.02819
0.00000
8
0.01397
-0.00581
0.00000
9
0.00644
-0.00194
0.00000
10
0.00960
0.00931
0.00000
11
0.00076
0.00091
0.00000
12
-0.00381
0.00080
0.00000
13
0.00249
-0.00080
0.00000
14
0.01558
0.01277
0.00000
15
0.00054
0.00043
0.00000
16
-0.00246
0.01232
0.00000
17
-0.02196
0.00676
0.00000
18
-0.03266
-0.03029
0.00000
19
0.00868
-0.03556
0.00000
20
0.02034
-0.00487
0.00000
21
-0.37121
-0.32191
0.00000
22
-0.15674
0.05165
0.00000
23
-0.07041
0.02278
0.00000
24
-0.11936
-0.10624
0.00000
25
0.03785
-0.01210
0.00000
26
-0.02302
0.00680
0.00000
27
-0.17794
-0.15805
0.00000
28
0.03076
-0.13587
0.00000
29
-0.09577
0.39633
0.00000
30
0.36659
0.34032
0.00000
31
0.23719
-0.06803
0.00000
32
-0.22039
0.06308
0.00000