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)
0.08800
Diff mu Y
(Debye)
-0.32000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00432
0.00572
0.00000
2
0.00360
-0.00705
0.00000
3
-0.00408
0.01198
0.00000
4
-0.01346
-0.00807
0.00000
5
0.01622
0.01248
0.00000
6
-0.00815
0.00389
0.00000
7
0.03064
0.00102
0.00000
8
-0.00801
0.00949
0.00000
9
-0.02891
0.03169
0.00000
10
0.03147
0.01584
0.00000
11
-0.00776
-0.03813
0.00000
12
0.00130
0.00955
0.00000
13
-0.05515
-0.03142
0.00000
14
0.03551
-0.04832
0.00000
15
-0.00582
-0.04969
0.00000
16
-0.12302
-0.01571
0.00000
17
0.02376
0.11197
0.00000
18
0.07753
0.00276
0.00000
19
-0.01210
-0.05870
0.00000
20
0.00537
-0.00670
0.00000
21
0.01014
0.17550
0.00000
22
0.07547
0.16006
0.00000
23
-0.01192
-0.01113
0.00000
24
-0.09214
0.00257
0.00000
25
0.11761
-0.03073
0.00000
26
-0.03777
0.05324
0.00000
27
0.15289
-0.23974
0.00000
28
-0.17306
-0.15254
0.00000
29
0.03313
0.12190
0.00000
30
0.28985
-0.22833
0.00000