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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.01300
Diff mu Y
(Debye)
-0.44200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01475
0.04438
0.00000
2
-0.00285
-0.00123
0.00000
3
0.04036
0.06477
0.00000
4
0.02341
-0.02472
0.00000
5
-0.02585
0.03401
0.00000
6
-0.03538
-0.02309
0.00000
7
0.05565
0.05316
0.00000
8
0.01662
0.02998
0.00000
9
-0.03671
0.05255
0.00000
10
-0.05105
0.04129
0.00000
11
-0.00733
0.05015
0.00000
12
0.03227
-0.05978
0.00000
13
-0.09866
0.00766
0.00000
14
0.00971
-0.05822
0.00000
15
-0.05328
-0.03466
0.00000
16
0.02482
-0.07866
0.00000
17
0.03555
0.03149
0.00000
18
0.05168
0.02445
0.00000
19
0.02005
-0.08900
0.00000
20
-0.01098
-0.06024
0.00000
21
0.08170
0.02532
0.00000
22
0.02067
0.03733
0.00000
23
-0.03205
0.07414
0.00000
24
-0.08186
0.07438
0.00000
25
0.03408
-0.05995
0.00000
26
-0.09995
0.00930
0.00000
27
0.02239
-0.07536
0.00000
28
0.01318
-0.08429
0.00000
29
-0.02399
-0.09916
0.00000
30
0.00604
0.07288
0.00000
31
0.02228
-0.02189
0.00000
32
0.00429
-0.00389
0.00000