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)
-0.41000
Diff mu Y
(Debye)
-0.32400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01455
-0.02372
0.00000
2
-0.01717
-0.00740
0.00000
3
0.02112
-0.10977
0.00000
4
0.01537
0.06530
0.00000
5
0.02952
0.06257
0.00000
6
0.04182
-0.06277
0.00000
7
-0.04206
0.08603
0.00000
8
-0.01111
0.02996
0.00000
9
-0.00149
0.04498
0.00000
10
-0.01251
-0.00500
0.00000
11
0.05750
0.01509
0.00000
12
-0.02583
-0.03621
0.00000
13
-0.01763
-0.01435
0.00000
14
-0.02807
0.00591
0.00000
15
-0.01351
-0.00857
0.00000
16
0.02915
0.01559
0.00000
17
-0.02381
0.01760
0.00000
18
0.02127
-0.04622
0.00000
19
0.03331
0.12882
0.00000
20
-0.03074
-0.07246
0.00000
21
-0.10532
-0.32317
0.00000
22
0.07027
0.29046
0.00000
23
-0.07299
-0.15264
0.00000
24
0.09829
-0.13666
0.00000
25
0.12146
0.04341
0.00000
26
-0.11672
0.05568
0.00000
27
0.05586
-0.08852
0.00000
28
-0.02885
-0.15539
0.00000
29
-0.06027
0.01090
0.00000
30
-0.05963
0.05400
0.00000