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)
0.05200
Diff mu Y
(Debye)
-0.16600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05299
0.00732
0.00000
2
-0.00319
0.01703
0.00000
3
-0.00119
0.04667
0.00000
4
-0.04936
-0.04938
0.00000
5
0.06426
-0.06751
0.00000
6
-0.01111
0.06737
0.00000
7
-0.04355
-0.03179
0.00000
8
-0.10359
-0.04273
0.00000
9
0.02181
-0.01588
0.00000
10
-0.03567
-0.01205
0.00000
11
-0.03025
0.04395
0.00000
12
0.04262
-0.02393
0.00000
13
0.01265
-0.08859
0.00000
14
0.04685
0.10449
0.00000
15
-0.05061
-0.01347
0.00000
16
0.02243
0.02889
0.00000
17
-0.00429
0.02026
0.00000
18
0.04126
0.02726
0.00000
19
0.03075
-0.01200
0.00000
20
-0.00338
0.00407
0.00000
21
0.01367
-0.10008
0.00000
22
-0.10547
-0.04775
0.00000
23
0.04890
0.06183
0.00000
24
-0.01641
-0.03134
0.00000
25
0.05346
0.01594
0.00000
26
-0.01490
-0.17565
0.00000
27
0.04310
0.10755
0.00000
28
-0.06537
0.01245
0.00000
29
0.01786
-0.01435
0.00000
30
0.03859
0.02849
0.00000
31
-0.02039
-0.03912
0.00000
32
0.01361
0.06304
0.00000