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)
-1.80700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01163
-0.03204
2
0.00000
-0.01163
-0.03204
3
0.00000
-0.00504
0.04946
4
0.00000
0.00504
0.04946
5
0.00000
0.02008
0.01330
6
0.00000
-0.02008
0.01330
7
0.00000
0.05580
-0.03499
8
0.00000
-0.05580
-0.03499
9
0.00000
-0.01381
0.00208
10
0.00000
0.01381
0.00208
11
0.00000
-0.03908
-0.04324
12
0.00000
0.03908
-0.04324
13
0.00000
-0.01660
-0.00775
14
0.00000
0.01660
-0.00775
15
0.00000
0.02065
0.03923
16
0.00000
-0.02065
0.03923
17
0.00000
-0.05618
0.00478
18
0.00000
0.05618
0.00478
19
0.00000
0.12324
0.03379
20
0.00000
-0.12324
0.03379
21
0.00000
0.02372
-0.06058
22
0.00000
-0.02372
-0.06058
23
0.00000
0.14960
0.06712
24
0.00000
-0.14960
0.06712
25
0.00000
0.03018
-0.03662
26
0.00000
-0.03018
-0.03662
27
0.00000
0.02283
-0.02056
28
0.00000
-0.02283
-0.02056
29
0.00000
-0.06493
-0.11548
30
0.00000
0.06493
-0.11548
31
0.00000
-0.15436
-0.12699
32
0.00000
0.15436
-0.12699