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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.42900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00022
0.00012
2
0.00000
-0.00022
-0.00012
3
0.00000
-0.00116
-0.00002
4
0.00000
-0.00116
0.00002
5
0.00000
-0.00062
0.00021
6
0.00000
-0.00062
-0.00021
7
0.00000
0.00092
-0.00100
8
0.00000
0.00092
0.00100
9
0.00000
0.00015
0.00017
10
0.00000
0.00015
-0.00017
11
0.00000
0.01136
-0.02167
12
0.00000
0.01136
0.02167
13
0.00000
0.00292
0.00898
14
0.00000
0.00292
-0.00898
15
0.00000
0.04115
0.00043
16
0.00000
0.04115
-0.00043
17
0.00000
-0.03397
0.00021
18
0.00000
-0.03397
-0.00021
19
0.00000
-0.00444
0.01157
20
0.00000
-0.00444
-0.01157
21
0.00000
-0.45465
-0.00186
22
0.00000
-0.45466
0.00186
23
0.00000
-0.13923
0.22795
24
0.00000
-0.13923
-0.22796
25
0.00000
-0.04404
-0.08384
26
0.00000
-0.04404
0.08384
27
0.00000
-0.00104
-0.00235
28
0.00000
-0.00104
0.00234
29
0.00000
0.38410
-0.00881
30
0.00000
0.38412
0.00881
31
0.00000
0.06347
-0.11603
32
0.00000
0.06347
0.11603