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)
0.10900
Diff mu Y
(Debye)
0.16400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.13182
0.00393
0.00000
2
0.10687
-0.07226
0.00000
3
-0.04360
-0.04708
0.00000
4
0.03873
-0.05168
0.00000
5
-0.03533
0.02179
0.00000
6
0.01521
-0.00773
0.00000
7
-0.02845
0.00335
0.00000
8
0.01031
0.04219
0.00000
9
-0.02481
0.01631
0.00000
10
0.01986
-0.01903
0.00000
11
0.03943
0.03275
0.00000
12
0.06048
0.06746
0.00000
13
0.01797
0.02748
0.00000
14
0.00950
-0.00654
0.00000
15
-0.08455
-0.00921
0.00000
16
-0.04258
0.00235
0.00000
17
0.02394
-0.04547
0.00000
18
0.05257
0.03470
0.00000
19
-0.13694
-0.00880
0.00000
20
0.09795
-0.11493
0.00000
21
-0.03526
-0.01221
0.00000
22
0.02402
-0.01386
0.00000
23
0.01666
0.05741
0.00000
24
0.02432
0.01778
0.00000
25
-0.03581
-0.01968
0.00000
26
0.06869
0.06134
0.00000
27
-0.08649
-0.00855
0.00000
28
-0.01586
0.08941
0.00000
29
0.01517
-0.04479
0.00000
30
0.01895
0.07649
0.00000