Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy
(eV)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
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)
0.16500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01733
2
0.00000
0.00000
0.01518
3
0.00000
0.00000
0.01949
4
0.00000
0.00000
-0.00066
5
0.00000
0.00000
0.00157
6
0.00000
0.00000
-0.01824
7
0.00000
0.00000
-0.05767
8
0.00000
0.00000
-0.03308
9
0.00000
0.00000
-0.01853
10
0.00000
0.00000
0.01883
11
0.00000
0.00000
0.07071
12
0.00000
0.00000
-0.02723
13
0.00000
0.00000
-0.00130
14
0.00000
0.00000
0.01033
15
0.00000
0.00000
0.08593
16
0.00000
0.00000
0.02937
17
0.00000
0.00000
-0.04706
18
0.00000
0.00000
-0.07966
19
0.00000
0.00000
-0.13814
20
0.00000
0.00000
-0.07795
21
0.00000
0.00000
0.10581
22
0.00000
0.00000
-0.08931
23
0.00000
0.00000
0.26527
24
0.00000
0.00000
0.01930
25
0.00000
0.00000
-0.08670
26
0.00000
0.00000
0.07778
27
0.00000
0.00000
-0.45311
28
0.00000
0.00000
-0.18725
29
0.00000
0.00000
0.32235
30
0.00000
0.00000
0.41686