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)
0.04800
Diff mu Y
(Debye)
-0.03500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08739
0.01777
0.00000
2
-0.10197
-0.02162
0.00000
3
0.04778
0.00488
0.00000
4
-0.04803
-0.01383
0.00000
5
0.05624
0.02997
0.00000
6
-0.04408
-0.01235
0.00000
7
-0.05907
-0.02774
0.00000
8
0.06641
0.02060
0.00000
9
-0.07042
-0.00026
0.00000
10
0.06503
0.00687
0.00000
11
0.01514
-0.01583
0.00000
12
0.02794
-0.00231
0.00000
13
-0.01206
0.01168
0.00000
14
0.01244
0.00941
0.00000
15
-0.00803
0.01822
0.00000
16
-0.02109
-0.00453
0.00000
17
-0.00826
-0.00927
0.00000
18
0.01312
0.00697
0.00000
19
-0.00272
0.00015
0.00000
20
-0.00750
-0.00820
0.00000
21
-0.16361
0.09451
0.00000
22
0.14254
0.26233
0.00000
23
-0.12389
-0.15864
0.00000
24
0.23295
-0.18788
0.00000
25
0.07663
0.15590
0.00000
26
-0.04819
-0.10370
0.00000
27
0.06176
-0.05276
0.00000
28
-0.25005
-0.05122
0.00000
29
-0.06938
-0.01531
0.00000
30
0.05973
-0.04222
0.00000
31
-0.00181
0.00802
0.00000
32
-0.01508
-0.03490
0.00000