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)
0.00800
Diff mu Y
(Debye)
-0.47500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02282
-0.05296
0.00000
2
0.00629
-0.00214
0.00000
3
-0.04641
-0.07358
0.00000
4
-0.01674
0.02605
0.00000
5
0.02220
-0.03132
0.00000
6
0.03917
0.02194
0.00000
7
-0.05651
-0.05975
0.00000
8
-0.00234
-0.03011
0.00000
9
0.03023
-0.04205
0.00000
10
0.05526
-0.02783
0.00000
11
0.00770
-0.05529
0.00000
12
-0.03415
0.06429
0.00000
13
0.09514
-0.00757
0.00000
14
-0.01111
0.05036
0.00000
15
0.05348
0.03543
0.00000
16
-0.02440
0.07419
0.00000
17
-0.03857
-0.02914
0.00000
18
-0.05088
-0.01760
0.00000
19
-0.01702
0.09088
0.00000
20
0.00851
0.06012
0.00000
21
-0.09092
-0.02234
0.00000
22
-0.00618
-0.03556
0.00000
23
0.02308
-0.07033
0.00000
24
0.08745
-0.06296
0.00000
25
-0.03630
0.06115
0.00000
26
0.09499
-0.01020
0.00000
27
-0.02604
0.06949
0.00000
28
-0.00521
0.08072
0.00000
29
0.02750
0.10058
0.00000
30
-0.00336
-0.06782
0.00000
31
-0.02253
0.02661
0.00000
32
-0.00721
0.00330
0.00000