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)
-0.11600
Diff mu Y
(Debye)
0.14200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01570
0.06811
0.00000
2
-0.01000
0.06234
0.00000
3
-0.01603
0.03749
0.00000
4
-0.07286
0.00448
0.00000
5
-0.00210
0.05156
0.00000
6
0.08730
0.00641
0.00000
7
-0.05038
-0.01062
0.00000
8
-0.08652
-0.01328
0.00000
9
0.07755
-0.01375
0.00000
10
0.12388
0.00043
0.00000
11
0.01945
0.01475
0.00000
12
-0.06455
-0.00186
0.00000
13
-0.01355
0.03723
0.00000
14
0.02033
-0.01445
0.00000
15
0.01656
-0.01076
0.00000
16
-0.00779
-0.06131
0.00000
17
0.03657
-0.00992
0.00000
18
-0.00715
-0.02733
0.00000
19
-0.01794
-0.05997
0.00000
20
-0.01361
-0.04550
0.00000
21
-0.02077
-0.04608
0.00000
22
-0.09005
-0.02026
0.00000
23
0.05299
-0.09010
0.00000
24
0.13024
-0.00495
0.00000
25
-0.04645
0.05479
0.00000
26
-0.00167
0.07131
0.00000
27
-0.03582
0.05104
0.00000
28
0.01458
-0.05472
0.00000
29
-0.02270
-0.06247
0.00000
30
-0.04010
0.00628
0.00000
31
0.03567
-0.00993
0.00000
32
-0.01719
-0.06237
0.00000