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)
0.00400
Diff mu Y
(Debye)
-0.26600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00618
0.00432
0.00000
2
0.05109
0.01995
0.00000
3
-0.01071
0.03972
0.00000
4
0.05117
0.01893
0.00000
5
-0.02127
-0.06711
0.00000
6
0.04226
0.02127
0.00000
7
-0.00529
0.06411
0.00000
8
0.03999
0.06458
0.00000
9
-0.01825
-0.09421
0.00000
10
0.03176
-0.07076
0.00000
11
-0.00329
0.03317
0.00000
12
-0.06826
-0.01449
0.00000
13
-0.01448
-0.05760
0.00000
14
-0.07408
0.01911
0.00000
15
-0.01569
-0.02147
0.00000
16
-0.10169
-0.00025
0.00000
17
0.01771
0.02836
0.00000
18
0.04448
0.03153
0.00000
19
0.03562
-0.00383
0.00000
20
0.02586
-0.00899
0.00000
21
-0.02373
0.08471
0.00000
22
0.05547
0.11344
0.00000
23
-0.02712
-0.12213
0.00000
24
0.08770
-0.13545
0.00000
25
-0.09586
-0.09825
0.00000
26
-0.01616
-0.06099
0.00000
27
-0.13125
0.08245
0.00000
28
-0.10223
0.00007
0.00000
29
0.01078
-0.00866
0.00000
30
0.03969
0.03667
0.00000
31
0.01089
0.00636
0.00000
32
0.03545
0.02639
0.00000