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)
0.53900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03484
0.00000
2
0.00000
-0.03484
0.00000
3
0.00000
0.03436
-0.06588
4
0.00000
0.03436
0.06588
5
0.00000
0.01988
0.06232
6
0.00000
0.01988
-0.06232
7
0.00000
-0.01454
0.08957
8
0.00000
-0.01454
-0.08957
9
0.00000
0.01962
-0.05033
10
0.00000
0.01962
0.05033
11
0.00000
-0.01868
-0.00457
12
0.00000
-0.01868
0.00457
13
0.00000
-0.02303
-0.00977
14
0.00000
-0.02303
0.00977
15
0.00000
0.01465
0.02200
16
0.00000
0.01465
-0.02200
17
0.00000
0.04220
-0.02169
18
0.00000
0.04220
0.02169
19
0.00000
-0.05135
-0.05296
20
0.00000
-0.05135
0.05296
21
0.00000
0.01526
-0.06050
22
0.00000
0.01526
0.06050
23
0.00000
-0.06953
-0.02909
24
0.00000
-0.06953
0.02909
25
0.00000
-0.00490
-0.02075
26
0.00000
-0.00490
0.02075
27
0.00000
-0.10174
0.01684
28
0.00000
-0.10174
-0.01684
29
0.00000
0.04960
0.14644
30
0.00000
0.04960
-0.14644
31
0.00000
0.25081
0.11383
32
0.00000
0.25081
-0.11383