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)
-0.36100
Diff mu Y
(Debye)
0.80600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01649
0.00129
0.00000
2
0.00975
-0.00924
0.00000
3
-0.03012
0.02950
0.00000
4
0.00463
0.01180
0.00000
5
0.00341
0.00614
0.00000
6
-0.00544
-0.01111
0.00000
7
-0.04812
-0.04282
0.00000
8
-0.00291
0.00443
0.00000
9
0.00137
-0.00856
0.00000
10
-0.00089
0.00044
0.00000
11
0.02454
0.00304
0.00000
12
-0.00797
-0.00725
0.00000
13
-0.00671
0.00682
0.00000
14
0.00418
0.00385
0.00000
15
0.01277
0.03105
0.00000
16
-0.01476
-0.04196
0.00000
17
0.03895
0.00060
0.00000
18
-0.00164
0.02234
0.00000
19
0.01885
0.01746
0.00000
20
0.00425
-0.03756
0.00000
21
-0.01527
-0.06815
0.00000
22
0.00218
0.01128
0.00000
23
0.02301
0.08790
0.00000
24
-0.04430
0.04495
0.00000
25
0.03922
0.01188
0.00000
26
0.03096
-0.05001
0.00000
27
-0.14009
0.21625
0.00000
28
-0.19835
-0.58377
0.00000
29
0.50697
0.09338
0.00000
30
-0.19803
0.25217
0.00000