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)
0.01200
Diff mu Y
(Debye)
-0.37300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03211
0.02418
0.00000
2
-0.02397
-0.02757
0.00000
3
-0.04695
0.02953
0.00000
4
-0.08795
-0.04581
0.00000
5
0.03804
0.02982
0.00000
6
0.02162
-0.03563
0.00000
7
0.04841
0.05550
0.00000
8
-0.07553
-0.09106
0.00000
9
0.04663
0.04999
0.00000
10
0.03453
-0.03846
0.00000
11
0.06256
0.05620
0.00000
12
0.03506
-0.05978
0.00000
13
0.03114
0.05017
0.00000
14
0.01430
-0.01003
0.00000
15
0.04187
0.00005
0.00000
16
-0.03272
-0.02254
0.00000
17
-0.05145
-0.00239
0.00000
18
-0.01571
0.05819
0.00000
19
-0.04910
-0.04129
0.00000
20
-0.00644
0.03788
0.00000
21
0.04844
0.05550
0.00000
22
0.03442
-0.03698
0.00000
23
-0.09632
-0.15671
0.00000
24
0.00621
0.07670
0.00000
25
-0.03464
-0.02165
0.00000
26
0.11918
-0.15265
0.00000
27
0.08571
-0.05091
0.00000
28
-0.04629
-0.06460
0.00000
29
-0.08436
-0.00768
0.00000
30
-0.06951
0.11997
0.00000