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)
-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)
0.21200
Diff mu Y
(Debye)
-0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00010
0.00002
0.00000
2
-0.00014
-0.00031
0.00000
3
-0.00005
-0.00002
0.00000
4
-0.00072
-0.00184
0.00000
5
0.00005
0.00032
0.00000
6
0.00089
-0.00079
0.00000
7
-0.00518
-0.00320
0.00000
8
0.02318
-0.00803
0.00000
9
-0.01140
0.00400
0.00000
10
0.00503
0.00393
0.00000
11
-0.00012
-0.00006
0.00000
12
-0.04216
0.01464
0.00000
13
0.00316
-0.00099
0.00000
14
0.02951
0.02770
0.00000
15
0.00003
0.00022
0.00000
16
0.00853
-0.04111
0.00000
17
0.00351
-0.00089
0.00000
18
-0.00425
-0.00416
0.00000
19
-0.00234
0.00861
0.00000
20
0.01309
-0.00373
0.00000
21
0.05977
0.05152
0.00000
22
-0.26800
0.08989
0.00000
23
0.13245
-0.04419
0.00000
24
-0.05934
-0.05179
0.00000
25
0.49714
-0.16470
0.00000
26
-0.03693
0.01085
0.00000
27
-0.35257
-0.31921
0.00000
28
-0.10109
0.49630
0.00000
29
0.02554
-0.10501
0.00000
30
0.05115
0.04947
0.00000
31
-0.04143
0.01101
0.00000
32
-0.15330
0.04315
0.00000