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)
0.47900
Diff mu Y
(Debye)
1.28700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02287
-0.00290
0.00000
2
0.01192
-0.01152
0.00000
3
0.00661
-0.01726
0.00000
4
-0.04763
-0.01521
0.00000
5
-0.01452
0.00994
0.00000
6
0.00338
0.01895
0.00000
7
0.01985
0.00295
0.00000
8
0.04815
-0.06317
0.00000
9
0.01508
-0.02884
0.00000
10
0.01994
0.00919
0.00000
11
-0.04516
0.02122
0.00000
12
-0.00307
0.06471
0.00000
13
-0.01580
0.01901
0.00000
14
-0.00585
-0.00603
0.00000
15
0.00564
-0.03837
0.00000
16
-0.01223
0.02343
0.00000
17
0.04271
-0.02119
0.00000
18
-0.03832
0.02111
0.00000
19
0.02277
-0.00056
0.00000
20
0.02376
0.03215
0.00000
21
-0.02427
-0.16529
0.00000
22
0.04541
0.08922
0.00000
23
-0.06046
-0.43426
0.00000
24
-0.13586
0.14094
0.00000
25
-0.07492
-0.02450
0.00000
26
-0.26019
0.34979
0.00000
27
0.10649
-0.16315
0.00000
28
0.03368
0.16159
0.00000
29
0.31557
0.03061
0.00000
30
-0.15344
0.14996
0.00000