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)
-0.20900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05101
0.00420
2
0.00000
-0.05101
-0.00420
3
0.00000
0.04332
-0.06282
4
0.00000
0.04332
0.06282
5
0.00000
0.06104
0.07180
6
0.00000
0.06104
-0.07180
7
0.00000
-0.00196
0.00881
8
0.00000
-0.00196
-0.00881
9
0.00000
-0.01522
-0.02777
10
0.00000
-0.01522
0.02777
11
0.00000
-0.00699
0.01847
12
0.00000
-0.00699
-0.01847
13
0.00000
-0.01146
-0.03060
14
0.00000
-0.01146
0.03060
15
0.00000
-0.00750
0.01062
16
0.00000
-0.00750
-0.01062
17
0.00000
-0.01809
0.05398
18
0.00000
-0.01809
-0.05398
19
0.00000
0.03880
0.01175
20
0.00000
0.03880
-0.01175
21
0.00000
-0.01034
-0.03399
22
0.00000
-0.01034
0.03399
23
0.00000
-0.07300
-0.02670
24
0.00000
-0.07300
0.02670
25
0.00000
-0.12615
0.03281
26
0.00000
-0.12615
-0.03281
27
0.00000
0.08439
-0.08195
28
0.00000
0.08439
0.08195
29
0.00000
-0.01766
-0.30059
30
0.00000
-0.01766
0.30059
31
0.00000
-0.22548
-0.14068
32
0.00000
-0.22548
0.14068