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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.18500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00025
0.00026
2
0.00000
0.00025
-0.00026
3
0.00000
-0.00126
-0.00003
4
0.00000
-0.00126
0.00003
5
0.00000
-0.00023
0.00009
6
0.00000
-0.00023
-0.00009
7
0.00000
0.00073
-0.00150
8
0.00000
0.00073
0.00150
9
0.00000
0.00092
0.00114
10
0.00000
0.00092
-0.00114
11
0.00000
0.01881
-0.03154
12
0.00000
0.01881
0.03154
13
0.00000
0.00300
0.00714
14
0.00000
0.00300
-0.00714
15
0.00000
0.01396
0.00056
16
0.00000
0.01396
-0.00056
17
0.00000
-0.04150
-0.00028
18
0.00000
-0.04150
0.00028
19
0.00000
-0.00437
0.01121
20
0.00000
-0.00437
-0.01121
21
0.00000
-0.15032
-0.00140
22
0.00000
-0.15032
0.00140
23
0.00000
-0.22319
0.35977
24
0.00000
-0.22319
-0.35977
25
0.00000
-0.04211
-0.07708
26
0.00000
-0.04211
0.07708
27
0.00000
-0.00929
-0.01497
28
0.00000
-0.00929
0.01497
29
0.00000
0.47835
-0.00440
30
0.00000
0.47835
0.00440
31
0.00000
0.06187
-0.11033
32
0.00000
0.06187
0.11033