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)
0.15200
Diff mu Y
(Debye)
-0.58200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00009
0.00029
0.00000
2
-0.00006
0.00020
0.00000
3
0.00011
-0.00011
0.00000
4
-0.00014
0.00068
0.00000
5
-0.00068
-0.00143
0.00000
6
-0.00217
0.00221
0.00000
7
0.00554
0.00445
0.00000
8
-0.02208
0.00769
0.00000
9
0.03400
-0.01305
0.00000
10
0.02826
0.02717
0.00000
11
0.00000
-0.00038
0.00000
12
-0.01081
0.00405
0.00000
13
-0.01037
0.00401
0.00000
14
-0.02327
-0.01999
0.00000
15
-0.00057
-0.00070
0.00000
16
0.00482
-0.01838
0.00000
17
0.01166
-0.00275
0.00000
18
-0.01868
-0.01777
0.00000
19
-0.00002
0.00509
0.00000
20
-0.03058
0.00815
0.00000
21
-0.07080
-0.06191
0.00000
22
0.26528
-0.08622
0.00000
23
-0.38533
0.12969
0.00000
24
-0.32887
-0.29574
0.00000
25
0.13830
-0.04807
0.00000
26
0.13141
-0.04011
0.00000
27
0.26311
0.23156
0.00000
28
-0.04425
0.20408
0.00000
29
0.01055
-0.05293
0.00000
30
0.22472
0.20936
0.00000
31
-0.14284
0.04031
0.00000
32
0.35495
-0.10421
0.00000