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)
-0.18900
Diff mu Y
(Debye)
0.25500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00007
-0.00016
0.00000
2
-0.00023
-0.00018
0.00000
3
0.00026
0.00047
0.00000
4
0.00069
0.00303
0.00000
5
0.00091
0.00146
0.00000
6
0.00094
-0.00111
0.00000
7
0.01531
0.01107
0.00000
8
-0.05567
0.01849
0.00000
9
-0.00406
0.00162
0.00000
10
-0.01280
-0.01185
0.00000
11
0.00025
0.00044
0.00000
12
0.02052
-0.00716
0.00000
13
0.03296
-0.01063
0.00000
14
0.01475
0.01338
0.00000
15
0.00002
-0.00162
0.00000
16
-0.00083
-0.00430
0.00000
17
-0.00536
0.00167
0.00000
18
-0.00647
-0.00701
0.00000
19
-0.00280
0.01551
0.00000
20
-0.00528
0.00112
0.00000
21
-0.18616
-0.15811
0.00000
22
0.65611
-0.21385
0.00000
23
0.04030
-0.01487
0.00000
24
0.14903
0.13392
0.00000
25
-0.23612
0.07648
0.00000
26
-0.39002
0.12499
0.00000
27
-0.17149
-0.15288
0.00000
28
-0.00709
0.04483
0.00000
29
0.04128
-0.17694
0.00000
30
0.07948
0.07594
0.00000
31
0.05483
-0.01475
0.00000
32
0.05279
-0.01353
0.00000