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)
0.43800
Diff mu Y
(Debye)
-2.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00460
0.02533
0.00000
2
-0.01503
0.01459
0.00000
3
0.02990
-0.04562
0.00000
4
-0.01666
-0.08218
0.00000
5
-0.00566
-0.05355
0.00000
6
0.04946
-0.04048
0.00000
7
-0.04441
0.04487
0.00000
8
0.02991
0.01559
0.00000
9
0.01231
0.06942
0.00000
10
-0.00904
-0.02935
0.00000
11
-0.00319
0.04439
0.00000
12
0.02082
0.09887
0.00000
13
0.00269
0.02990
0.00000
14
-0.08718
0.07298
0.00000
15
0.00114
-0.02503
0.00000
16
0.04662
-0.05261
0.00000
17
-0.01099
-0.05156
0.00000
18
0.00767
0.02471
0.00000
19
-0.03100
-0.01671
0.00000
20
0.01659
0.02329
0.00000
21
0.11346
-0.13819
0.00000
22
-0.00355
-0.10116
0.00000
23
-0.05497
-0.12405
0.00000
24
-0.01173
-0.03202
0.00000
25
-0.08469
-0.20806
0.00000
26
-0.02662
-0.05174
0.00000
27
0.12931
-0.17402
0.00000
28
-0.08173
-0.08744
0.00000
29
0.07048
0.00618
0.00000
30
0.02936
0.00390
0.00000
31
0.04287
0.13571
0.00000
32
0.00466
-0.02498
0.00000