Charge: -1
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-1
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)
-0.41600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03373
0.00529
2
0.00000
0.03373
-0.00529
3
0.00000
0.04550
0.00291
4
0.00000
0.04550
-0.00291
5
0.00000
0.00515
0.02486
6
0.00000
0.00515
-0.02486
7
0.00000
0.03116
-0.01224
8
0.00000
0.03116
0.01224
9
0.00000
-0.02099
0.01013
10
0.00000
-0.02099
-0.01013
11
0.00000
0.04674
0.04495
12
0.00000
0.04674
-0.04495
13
0.00000
0.00334
0.05842
14
0.00000
0.00334
-0.05842
15
0.00000
0.02209
0.07096
16
0.00000
0.02209
-0.07096
17
0.00000
-0.04143
-0.05350
18
0.00000
-0.04143
0.05350
19
0.00000
-0.11207
-0.02302
20
0.00000
-0.11207
0.02302
21
0.00000
0.02241
0.09237
22
0.00000
0.02241
-0.09237
23
0.00000
0.06644
0.05377
24
0.00000
0.06644
-0.05377
25
0.00000
-0.01615
0.06921
26
0.00000
-0.01615
-0.06921
27
0.00000
-0.03824
0.02024
28
0.00000
-0.03824
-0.02024
29
0.00000
-0.04075
-0.11485
30
0.00000
-0.04075
0.11485
31
0.00000
-0.15097
-0.04604
32
0.00000
-0.15097
0.04604