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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
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)
0.03000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07928
2
0.00000
0.00000
-0.01026
3
0.00000
0.00000
0.11003
4
0.00000
0.00000
-0.06168
5
0.00000
0.00000
0.02353
6
0.00000
0.00000
-0.06062
7
0.00000
0.00000
0.05402
8
0.00000
0.00000
-0.09154
9
0.00000
0.00000
0.05645
10
0.00000
0.00000
-0.00373
11
0.00000
0.00000
0.03368
12
0.00000
0.00000
0.02885
13
0.00000
0.00000
-0.09891
14
0.00000
0.00000
-0.05462
15
0.00000
0.00000
-0.04920
16
0.00000
0.00000
0.06660
17
0.00000
0.00000
-0.04710
18
0.00000
0.00000
-0.03037
19
0.00000
0.00000
0.06265
20
0.00000
0.00000
-0.00423
21
0.00000
0.00000
0.07804
22
0.00000
0.00000
-0.17789
23
0.00000
0.00000
0.10649
24
0.00000
0.00000
0.01048
25
0.00000
0.00000
0.08526
26
0.00000
0.00000
-0.18733
27
0.00000
0.00000
-0.07979
28
0.00000
0.00000
0.16529
29
0.00000
0.00000
0.14229
30
0.00000
0.00000
-0.07474
31
0.00000
0.00000
-0.10598
32
0.00000
0.00000
0.00419