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)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.15700
Diff mu Y
(Debye)
-0.02800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05057
0.01754
0.00000
2
-0.03993
-0.00234
0.00000
3
-0.02263
-0.02455
0.00000
4
-0.00846
0.03313
0.00000
5
-0.01846
0.02644
0.00000
6
-0.01634
-0.02698
0.00000
7
0.04724
-0.04307
0.00000
8
-0.00200
0.06249
0.00000
9
0.00288
0.03979
0.00000
10
0.02008
-0.06405
0.00000
11
-0.00780
-0.07590
0.00000
12
0.02432
0.07422
0.00000
13
0.03864
0.05134
0.00000
14
0.01764
-0.05214
0.00000
15
0.10539
0.04038
0.00000
16
0.00807
0.03658
0.00000
17
-0.02335
0.01970
0.00000
18
-0.07321
-0.11607
0.00000
19
-0.04986
0.02287
0.00000
20
-0.04014
-0.00231
0.00000
21
-0.00553
0.00403
0.00000
22
0.02823
-0.03922
0.00000
23
-0.00650
0.04673
0.00000
24
0.01218
0.07908
0.00000
25
-0.05599
-0.07183
0.00000
26
-0.01981
0.12400
0.00000
27
0.10623
0.04191
0.00000
28
-0.02033
-0.04791
0.00000
29
0.07673
0.03971
0.00000
30
-0.04323
-0.15541
0.00000