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)
-0.04500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02264
0.03812
2
0.00000
0.02264
-0.03812
3
0.00000
-0.02269
0.03841
4
0.00000
-0.02269
-0.03841
5
0.00000
0.04944
0.04504
6
0.00000
0.04944
-0.04504
7
0.00000
-0.07725
0.04369
8
0.00000
-0.07725
-0.04369
9
0.00000
0.04376
0.03173
10
0.00000
0.04376
-0.03173
11
0.00000
-0.02148
0.03773
12
0.00000
-0.02148
-0.03773
13
0.00000
0.05188
0.04629
14
0.00000
0.05188
-0.04629
15
0.00000
0.01295
0.02899
16
0.00000
0.01295
-0.02899
17
0.00000
-0.05855
0.07686
18
0.00000
-0.05855
-0.07686
19
0.00000
-0.00605
0.04861
20
0.00000
-0.00605
-0.04861
21
0.00000
0.01294
-0.01009
22
0.00000
0.01294
0.01009
23
0.00000
-0.02216
0.03873
24
0.00000
-0.02216
-0.03873
25
0.00000
0.06458
0.03905
26
0.00000
0.06458
-0.03905
27
0.00000
0.01214
0.04990
28
0.00000
0.01214
-0.04990
29
0.00000
-0.05919
0.10606
30
0.00000
-0.05919
-0.10606
31
0.00000
0.05550
0.08383
32
0.00000
0.05550
-0.08383