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)
-0.17200
Diff mu Y
(Debye)
0.12600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08202
0.01563
0.00000
2
-0.00886
-0.01877
0.00000
3
-0.02603
-0.04662
0.00000
4
-0.00238
0.00095
0.00000
5
-0.01489
0.03683
0.00000
6
-0.01846
-0.02473
0.00000
7
0.04741
-0.05511
0.00000
8
0.00194
0.05655
0.00000
9
0.02548
0.04184
0.00000
10
0.00878
-0.04514
0.00000
11
-0.00352
-0.06417
0.00000
12
0.03269
0.06761
0.00000
13
0.04206
0.05124
0.00000
14
0.01144
-0.04910
0.00000
15
0.09831
0.05369
0.00000
16
0.00206
0.03792
0.00000
17
-0.02936
0.03724
0.00000
18
-0.08237
-0.10268
0.00000
19
-0.08074
0.01811
0.00000
20
-0.01309
-0.03218
0.00000
21
0.01535
0.00658
0.00000
22
0.01775
-0.01326
0.00000
23
-0.00084
0.04605
0.00000
24
0.00353
0.09009
0.00000
25
-0.05219
-0.06417
0.00000
26
-0.00856
0.11042
0.00000
27
0.08963
0.06296
0.00000
28
-0.02876
-0.06233
0.00000
29
0.08093
0.05763
0.00000
30
-0.05011
-0.13879
0.00000