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)
0.41300
Diff mu Y
(Debye)
0.02000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00349
-0.00679
0.00000
2
-0.00280
-0.00645
0.00000
3
0.04767
0.02976
0.00000
4
-0.02444
0.01537
0.00000
5
-0.05098
-0.03745
0.00000
6
0.06048
-0.02572
0.00000
7
-0.02392
-0.01652
0.00000
8
0.01752
0.03021
0.00000
9
0.06480
0.08097
0.00000
10
-0.08279
0.02416
0.00000
11
-0.03482
-0.05303
0.00000
12
0.01265
-0.03983
0.00000
13
-0.01020
-0.04625
0.00000
14
0.03205
-0.00775
0.00000
15
0.01392
0.06955
0.00000
16
-0.06224
0.01618
0.00000
17
0.03148
0.01036
0.00000
18
-0.01861
0.04497
0.00000
19
-0.05222
-0.03676
0.00000
20
0.03027
-0.00354
0.00000
21
-0.03172
-0.01219
0.00000
22
-0.01991
-0.07608
0.00000
23
-0.05268
-0.27584
0.00000
24
0.13101
-0.22179
0.00000
25
0.06292
0.10763
0.00000
26
0.02175
0.07920
0.00000
27
0.01519
0.02415
0.00000
28
0.14254
0.06027
0.00000
29
0.19141
0.01634
0.00000
30
0.14901
-0.13184
0.00000
31
0.01071
-0.08001
0.00000
32
0.04251
0.01658
0.00000