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)
-0.17000
Diff mu Y
(Debye)
-0.57300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00232
0.00094
0.00000
2
-0.02886
0.00768
0.00000
3
-0.00005
0.00019
0.00000
4
0.00086
0.00059
0.00000
5
-0.00060
-0.00117
0.00000
6
0.00041
-0.00011
0.00000
7
0.00063
0.00014
0.00000
8
-0.04400
0.01392
0.00000
9
0.02642
-0.00804
0.00000
10
-0.02450
0.00736
0.00000
11
0.00026
-0.00028
0.00000
12
0.01513
0.01277
0.00000
13
0.00601
0.00846
0.00000
14
0.00530
-0.02141
0.00000
15
-0.00727
-0.00687
0.00000
16
-0.00876
0.00450
0.00000
17
0.00531
-0.02451
0.00000
18
0.01650
0.01464
0.00000
19
0.02961
-0.00755
0.00000
20
0.33602
-0.09172
0.00000
21
-0.30038
0.08373
0.00000
22
0.28670
-0.08424
0.00000
23
0.50774
-0.15651
0.00000
24
-0.07852
-0.07804
0.00000
25
-0.05810
0.25308
0.00000
26
-0.18200
-0.16657
0.00000
27
0.08448
0.07147
0.00000
28
0.10649
-0.03862
0.00000
29
-0.05956
0.28399
0.00000
30
-0.20182
-0.17395
0.00000