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)
0.68700
Diff mu Y
(Debye)
-0.44300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02565
0.00000
0.00000
2
-0.00941
0.00278
0.00000
3
-0.00597
-0.00935
0.00000
4
0.00652
0.01092
0.00000
5
0.00046
0.01554
0.00000
6
0.01858
-0.01842
0.00000
7
0.01527
-0.02145
0.00000
8
-0.00668
0.02238
0.00000
9
-0.00157
0.02414
0.00000
10
-0.00064
-0.02211
0.00000
11
-0.03309
0.00215
0.00000
12
0.01487
0.00937
0.00000
13
-0.00066
-0.01297
0.00000
14
0.01368
-0.00711
0.00000
15
0.01703
-0.01281
0.00000
16
-0.02712
-0.00142
0.00000
17
0.00581
-0.01044
0.00000
18
-0.02375
0.03006
0.00000
19
0.03866
0.01550
0.00000
20
-0.00729
-0.01524
0.00000
21
0.13957
-0.16833
0.00000
22
0.03075
0.14415
0.00000
23
0.04998
0.18660
0.00000
24
0.07404
-0.11061
0.00000
25
0.03936
0.08544
0.00000
26
-0.00720
-0.03112
0.00000
27
0.04077
-0.03853
0.00000
28
-0.24276
-0.04462
0.00000
29
0.49292
0.12472
0.00000
30
-0.33807
0.36898
0.00000
31
-0.06282
-0.25112
0.00000
32
-0.08593
-0.28354
0.00000