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)
0.01100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04295
2
0.00000
0.00000
-0.07889
3
0.00000
0.00000
0.04717
4
0.00000
0.00000
0.01205
5
0.00000
0.00000
0.02086
6
0.00000
0.00000
-0.02462
7
0.00000
0.00000
0.02522
8
0.00000
0.00000
-0.03175
9
0.00000
0.00000
0.01610
10
0.00000
0.00000
-0.01975
11
0.00000
0.00000
-0.06703
12
0.00000
0.00000
0.07230
13
0.00000
0.00000
-0.04781
14
0.00000
0.00000
0.07714
15
0.00000
0.00000
0.04150
16
0.00000
0.00000
-0.09108
17
0.00000
0.00000
-0.05903
18
0.00000
0.00000
0.08130
19
0.00000
0.00000
-0.08695
20
0.00000
0.00000
0.06834
21
0.00000
0.00000
-0.01244
22
0.00000
0.00000
-0.09605
23
0.00000
0.00000
0.02875
24
0.00000
0.00000
-0.02013
25
0.00000
0.00000
0.14947
26
0.00000
0.00000
-0.13461
27
0.00000
0.00000
0.19945
28
0.00000
0.00000
-0.18635
29
0.00000
0.00000
-0.20192
30
0.00000
0.00000
0.22990
31
0.00000
0.00000
-0.02907
32
0.00000
0.00000
0.09635