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)
0.00000
Diff mu Z
(Debye)
0.29500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00046
0.00017
2
0.00000
-0.00046
0.00017
3
0.00000
0.00005
0.00009
4
0.00000
-0.00005
0.00009
5
0.00000
0.00180
-0.00030
6
0.00000
-0.00180
-0.00030
7
0.00000
-0.00011
-0.00009
8
0.00000
0.00011
-0.00009
9
0.00000
0.00339
0.00566
10
0.00000
-0.00339
0.00567
11
0.00000
-0.00124
0.00137
12
0.00000
0.00124
0.00137
13
0.00000
-0.02740
-0.05065
14
0.00000
0.02741
-0.05065
15
0.00000
0.01232
0.00243
16
0.00000
-0.01232
0.00243
17
0.00000
0.00065
0.00008
18
0.00000
-0.00065
0.00008
19
0.00000
-0.00021
0.00011
20
0.00000
0.00021
0.00011
21
0.00000
-0.15220
-0.00249
22
0.00000
0.15221
-0.00249
23
0.00000
0.01035
-0.01634
24
0.00000
-0.01035
-0.01635
25
0.00000
0.31381
0.57176
26
0.00000
-0.31384
0.57181
27
0.00000
-0.03685
-0.06128
28
0.00000
0.03687
-0.06132
29
0.00000
-0.00715
0.00022
30
0.00000
0.00715
0.00022
31
0.00000
0.00126
-0.00222
32
0.00000
-0.00126
-0.00222