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)
0.00000
Diff mu Z
(Debye)
0.14500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03245
0.01029
2
0.00000
0.03245
0.01029
3
0.00000
0.01794
-0.00629
4
0.00000
-0.01794
-0.00629
5
0.00000
-0.00729
0.00488
6
0.00000
0.00729
0.00488
7
0.00000
-0.02991
-0.04284
8
0.00000
0.02991
-0.04284
9
0.00000
-0.04277
0.00562
10
0.00000
0.04277
0.00562
11
0.00000
0.04121
0.05547
12
0.00000
-0.04121
0.05547
13
0.00000
0.04491
-0.00484
14
0.00000
-0.04491
-0.00484
15
0.00000
-0.03733
-0.06215
16
0.00000
0.03733
-0.06215
17
0.00000
-0.01815
0.06778
18
0.00000
0.01815
0.06778
19
0.00000
0.07024
-0.00700
20
0.00000
-0.07024
-0.00700
21
0.00000
-0.04284
0.11873
22
0.00000
0.04284
0.11873
23
0.00000
-0.07969
-0.01741
24
0.00000
0.07969
-0.01741
25
0.00000
-0.13911
0.09544
26
0.00000
0.13911
0.09544
27
0.00000
0.04213
-0.04977
28
0.00000
-0.04213
-0.04977
29
0.00000
-0.01951
-0.26668
30
0.00000
0.01951
-0.26668
31
0.00000
-0.13122
-0.12934
32
0.00000
0.13122
-0.12934