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)
0.00000
Diff mu Z
(Debye)
-2.79800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01842
-0.08756
2
0.00000
0.01842
-0.08756
3
0.00000
-0.06219
0.11456
4
0.00000
0.06219
0.11456
5
0.00000
0.03644
0.01797
6
0.00000
-0.03644
0.01797
7
0.00000
-0.02430
-0.04716
8
0.00000
0.02430
-0.04716
9
0.00000
0.02612
0.00338
10
0.00000
-0.02612
0.00338
11
0.00000
0.06693
0.00971
12
0.00000
-0.06693
0.00971
13
0.00000
-0.02094
0.02059
14
0.00000
0.02094
0.02059
15
0.00000
-0.02001
-0.03466
16
0.00000
0.02001
-0.03466
17
0.00000
0.00193
0.00289
18
0.00000
-0.00193
0.00289
19
0.00000
-0.02245
-0.00034
20
0.00000
0.02245
-0.00034
21
0.00000
-0.01896
-0.13102
22
0.00000
0.01896
-0.13102
23
0.00000
0.10442
0.03206
24
0.00000
-0.10442
0.03206
25
0.00000
-0.02835
0.02321
26
0.00000
0.02835
0.02321
27
0.00000
-0.01739
0.03077
28
0.00000
0.01739
0.03077
29
0.00000
-0.00119
-0.01940
30
0.00000
0.00119
-0.01940
31
0.00000
0.09763
0.07175
32
0.00000
-0.09763
0.07175