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)
-768.42040
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)
-1.38600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00656
-0.05541
2
0.00000
0.00656
-0.05541
3
0.00000
-0.00776
0.03337
4
0.00000
0.00776
0.03337
5
0.00000
-0.01888
0.02286
6
0.00000
0.01888
0.02286
7
0.00000
-0.04393
0.01120
8
0.00000
0.04393
0.01120
9
0.00000
-0.00828
-0.00873
10
0.00000
0.00828
-0.00873
11
0.00000
-0.00943
-0.01927
12
0.00000
0.00943
-0.01927
13
0.00000
0.00995
0.01547
14
0.00000
-0.00995
0.01547
15
0.00000
0.01287
0.00279
16
0.00000
-0.01287
0.00279
17
0.00000
0.01926
0.01716
18
0.00000
-0.01926
0.01716
19
0.00000
-0.00797
-0.03288
20
0.00000
0.00797
-0.03288
21
0.00000
0.01316
0.18466
22
0.00000
-0.01316
0.18466
23
0.00000
-0.12415
-0.08760
24
0.00000
0.12415
-0.08760
25
0.00000
0.10599
-0.03554
26
0.00000
-0.10599
-0.03554
27
0.00000
-0.09377
0.03802
28
0.00000
0.09377
0.03802
29
0.00000
0.02075
0.30888
30
0.00000
-0.02075
0.30888
31
0.00000
-0.37099
-0.24844
32
0.00000
0.37099
-0.24844