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)
-0.19900
Diff mu Y
(Debye)
-0.39100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01922
0.03103
0.00000
2
-0.01166
0.02858
0.00000
3
0.04116
0.01839
0.00000
4
-0.02544
-0.01884
0.00000
5
-0.01074
0.00419
0.00000
6
-0.00107
0.03062
0.00000
7
0.05344
0.09231
0.00000
8
-0.06072
0.06119
0.00000
9
-0.03727
-0.01942
0.00000
10
-0.03597
-0.02648
0.00000
11
-0.00782
-0.05327
0.00000
12
0.00532
-0.06943
0.00000
13
0.03748
0.02205
0.00000
14
0.04166
0.03504
0.00000
15
0.05945
-0.01575
0.00000
16
0.00945
-0.08756
0.00000
17
-0.08530
-0.04187
0.00000
18
-0.05423
-0.03851
0.00000
19
-0.00657
0.06362
0.00000
20
0.07247
-0.00827
0.00000
21
0.08023
0.06367
0.00000
22
-0.06516
0.04942
0.00000
23
-0.03581
-0.01290
0.00000
24
-0.01079
-0.05514
0.00000
25
0.01583
-0.03982
0.00000
26
0.05598
0.07942
0.00000
27
0.00668
0.07559
0.00000
28
-0.06606
-0.10329
0.00000
29
-0.00736
0.06153
0.00000
30
0.01839
-0.11700
0.00000
31
-0.07833
-0.00792
0.00000
32
0.05219
-0.08435
0.00000