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)
-0.03500
Diff mu Y
(Debye)
0.06700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00643
0.00179
0.00000
2
-0.03817
-0.00592
0.00000
3
0.02621
0.00938
0.00000
4
0.02233
0.01766
0.00000
5
-0.06724
-0.03278
0.00000
6
-0.05871
-0.01078
0.00000
7
0.07479
0.03391
0.00000
8
0.02196
0.04747
0.00000
9
-0.04097
-0.09130
0.00000
10
-0.03032
-0.01169
0.00000
11
0.05072
0.07978
0.00000
12
0.05091
0.06589
0.00000
13
-0.00481
-0.09264
0.00000
14
0.00778
-0.05591
0.00000
15
0.06710
-0.00932
0.00000
16
-0.00462
-0.02680
0.00000
17
-0.04668
0.02080
0.00000
18
-0.02019
0.07663
0.00000
19
0.00253
0.03671
0.00000
20
-0.04912
-0.04821
0.00000
21
-0.05456
-0.13704
0.00000
22
-0.01917
0.02309
0.00000
23
0.02222
0.04449
0.00000
24
0.01425
-0.11427
0.00000
25
0.04639
-0.04787
0.00000
26
0.07128
0.04532
0.00000
27
0.09889
-0.04668
0.00000
28
-0.02531
-0.08272
0.00000
29
-0.09240
0.01240
0.00000
30
-0.05856
0.12251
0.00000