Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.21100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00005
0.00029
2
0.00000
-0.00005
0.00029
3
0.00000
-0.00024
-0.00018
4
0.00000
0.00024
-0.00018
5
0.00000
-0.00066
0.00064
6
0.00000
0.00066
0.00064
7
0.00000
0.00058
-0.00129
8
0.00000
-0.00058
-0.00129
9
0.00000
-0.00840
-0.01299
10
0.00000
0.00840
-0.01299
11
0.00000
-0.00003
-0.00186
12
0.00000
0.00003
-0.00186
13
0.00000
0.00276
0.00685
14
0.00000
-0.00276
0.00685
15
0.00000
0.03361
-0.00036
16
0.00000
-0.03361
-0.00036
17
0.00000
-0.03661
0.00083
18
0.00000
0.03661
0.00083
19
0.00000
0.01388
-0.02140
20
0.00000
-0.01388
-0.02140
21
0.00000
-0.37925
-0.00050
22
0.00000
0.37925
-0.00050
23
0.00000
-0.00357
0.00501
24
0.00000
0.00357
0.00501
25
0.00000
-0.03448
-0.06475
26
0.00000
0.03448
-0.06475
27
0.00000
0.08919
0.15270
28
0.00000
-0.08919
0.15270
29
0.00000
0.42651
-0.00532
30
0.00000
-0.42651
-0.00532
31
0.00000
-0.15285
0.26372
32
0.00000
0.15285
0.26372