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)
0.31700
Diff mu Y
(Debye)
-0.50600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03790
0.00935
0.00000
2
-0.00740
0.00239
0.00000
3
0.00123
0.00128
0.00000
4
-0.00019
-0.00111
0.00000
5
-0.00032
-0.00161
0.00000
6
0.00008
-0.00013
0.00000
7
-0.00172
0.00068
0.00000
8
0.02017
-0.00738
0.00000
9
0.00582
-0.00181
0.00000
10
-0.01257
0.00460
0.00000
11
-0.00124
0.00145
0.00000
12
0.01068
0.01145
0.00000
13
0.00535
0.00727
0.00000
14
0.00611
-0.02510
0.00000
15
0.03177
0.02505
0.00000
16
-0.02641
0.00839
0.00000
17
0.00252
-0.00099
0.00000
18
-0.02743
-0.02219
0.00000
19
0.43252
-0.11227
0.00000
20
0.08941
-0.02389
0.00000
21
-0.06362
0.01888
0.00000
22
0.15603
-0.04642
0.00000
23
-0.22633
0.07026
0.00000
24
-0.07471
-0.07473
0.00000
25
-0.07012
0.28607
0.00000
26
-0.12286
-0.11658
0.00000
27
-0.36052
-0.29667
0.00000
28
0.31404
-0.10769
0.00000
29
-0.00347
0.00591
0.00000
30
0.30416
0.25902
0.00000