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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02800
Diff mu Y
(Debye)
0.01000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00772
-0.00830
0.00000
2
0.03832
0.00838
0.00000
3
-0.03019
-0.01023
0.00000
4
-0.02447
-0.01629
0.00000
5
0.06998
0.02601
0.00000
6
0.06290
0.00720
0.00000
7
-0.07825
-0.03348
0.00000
8
-0.02395
-0.04521
0.00000
9
0.04141
0.08410
0.00000
10
0.03353
0.00845
0.00000
11
-0.05138
-0.07947
0.00000
12
-0.05086
-0.06397
0.00000
13
0.00193
0.08663
0.00000
14
-0.00879
0.05338
0.00000
15
-0.06926
0.01681
0.00000
16
0.00455
0.03654
0.00000
17
0.05034
-0.01325
0.00000
18
0.02233
-0.07388
0.00000
19
-0.00208
-0.04702
0.00000
20
0.05074
0.05571
0.00000
21
0.05733
0.13446
0.00000
22
0.02166
-0.02946
0.00000
23
-0.02539
-0.04646
0.00000
24
-0.01491
0.10609
0.00000
25
-0.05087
0.04369
0.00000
26
-0.07269
-0.04144
0.00000
27
-0.10415
0.05503
0.00000
28
0.02505
0.09496
0.00000
29
0.09960
-0.00403
0.00000
30
0.06517
-0.12388
0.00000