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)
-768.42040
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)
0.73000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02916
-0.02929
2
0.00000
0.02916
0.02929
3
0.00000
-0.03391
0.08549
4
0.00000
-0.03391
-0.08549
5
0.00000
-0.00889
-0.04097
6
0.00000
-0.00889
0.04097
7
0.00000
0.01069
-0.09663
8
0.00000
0.01069
0.09663
9
0.00000
-0.01790
0.04124
10
0.00000
-0.01790
-0.04124
11
0.00000
0.00457
-0.01533
12
0.00000
0.00457
0.01533
13
0.00000
0.00856
0.01185
14
0.00000
0.00856
-0.01185
15
0.00000
-0.00167
-0.01247
16
0.00000
-0.00167
0.01247
17
0.00000
-0.03430
0.03848
18
0.00000
-0.03430
-0.03848
19
0.00000
0.04207
0.03875
20
0.00000
0.04207
-0.03875
21
0.00000
-0.00008
0.02466
22
0.00000
-0.00008
-0.02466
23
0.00000
0.15870
0.07363
24
0.00000
0.15870
-0.07363
25
0.00000
0.02249
0.00399
26
0.00000
0.02249
-0.00399
27
0.00000
0.09215
-0.02312
28
0.00000
0.09215
0.02312
29
0.00000
-0.03892
-0.19973
30
0.00000
-0.03892
0.19973
31
0.00000
-0.21510
-0.10502
32
0.00000
-0.21510
0.10502