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)
-0.07200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00445
-0.04955
2
0.00000
-0.00445
-0.04955
3
0.00000
0.02848
-0.00133
4
0.00000
-0.02848
-0.00133
5
0.00000
0.00090
-0.01911
6
0.00000
-0.00090
-0.01911
7
0.00000
0.00709
0.04774
8
0.00000
-0.00709
0.04774
9
0.00000
0.00914
0.02762
10
0.00000
-0.00914
0.02762
11
0.00000
-0.01982
0.03731
12
0.00000
0.01982
0.03731
13
0.00000
0.02451
-0.00227
14
0.00000
-0.02451
-0.00227
15
0.00000
-0.02770
-0.01687
16
0.00000
0.02770
-0.01687
17
0.00000
0.05742
0.03822
18
0.00000
-0.05742
0.03822
19
0.00000
0.09478
-0.07550
20
0.00000
-0.09478
-0.07550
21
0.00000
-0.03039
-0.12248
22
0.00000
0.03039
-0.12248
23
0.00000
0.04231
0.08157
24
0.00000
-0.04231
0.08157
25
0.00000
0.06422
-0.02577
26
0.00000
-0.06422
-0.02577
27
0.00000
0.05351
0.00332
28
0.00000
-0.05351
0.00332
29
0.00000
0.06809
0.24170
30
0.00000
-0.06809
0.24170
31
0.00000
0.21684
-0.01496
32
0.00000
-0.21684
-0.01496