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)
0.14500
Diff mu Y
(Debye)
1.57200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01315
0.00540
0.00000
2
0.00046
-0.01730
0.00000
3
-0.02441
-0.00466
0.00000
4
-0.00448
0.01412
0.00000
5
-0.00067
0.05061
0.00000
6
0.00382
0.01337
0.00000
7
-0.00999
0.03581
0.00000
8
0.00347
-0.03922
0.00000
9
-0.00573
0.00771
0.00000
10
0.00701
-0.02371
0.00000
11
0.07752
-0.01495
0.00000
12
0.00224
0.00639
0.00000
13
-0.01247
-0.09087
0.00000
14
-0.01467
0.00528
0.00000
15
-0.04173
0.09003
0.00000
16
0.01297
-0.00617
0.00000
17
-0.05490
0.01364
0.00000
18
0.11015
-0.06645
0.00000
19
-0.11925
0.01439
0.00000
20
0.04037
-0.04232
0.00000
21
0.06458
-0.04448
0.00000
22
0.03317
0.04754
0.00000
23
-0.00885
0.00813
0.00000
24
-0.03783
0.02672
0.00000
25
-0.01190
-0.03167
0.00000
26
0.07204
0.18206
0.00000
27
0.01446
-0.02760
0.00000
28
-0.02671
-0.01583
0.00000
29
0.16771
0.08577
0.00000
30
-0.10839
0.17268
0.00000
31
-0.03900
0.08302
0.00000
32
0.08464
0.09569
0.00000