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)
-0.43300
Diff mu Y
(Debye)
0.12000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00051
-0.00020
0.00000
2
-0.00010
-0.00018
0.00000
3
-0.00014
0.00001
0.00000
4
-0.00008
-0.00012
0.00000
5
-0.00021
-0.00133
0.00000
6
0.00006
0.00004
0.00000
7
0.00195
0.00164
0.00000
8
-0.00297
0.00092
0.00000
9
-0.00919
0.00265
0.00000
10
0.01000
0.00918
0.00000
11
0.00074
-0.00017
0.00000
12
-0.00974
0.00335
0.00000
13
-0.03601
0.01180
0.00000
14
0.00589
0.00561
0.00000
15
0.00009
-0.00016
0.00000
16
0.00206
-0.00957
0.00000
17
-0.00694
0.00166
0.00000
18
0.01491
0.01486
0.00000
19
0.00941
-0.03524
0.00000
20
-0.05056
0.01457
0.00000
21
-0.02215
-0.01894
0.00000
22
0.03511
-0.01095
0.00000
23
0.10927
-0.03453
0.00000
24
-0.11694
-0.10620
0.00000
25
0.11481
-0.03839
0.00000
26
0.41782
-0.13218
0.00000
27
-0.07082
-0.06478
0.00000
28
-0.02345
0.11500
0.00000
29
-0.10383
0.42684
0.00000
30
-0.18029
-0.17486
0.00000
31
0.08460
-0.02300
0.00000
32
0.59313
-0.16803
0.00000