Charge: -1
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-1
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)
-0.35300
Diff mu Y
(Debye)
0.00800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00942
0.01275
0.00000
2
0.00964
0.00711
0.00000
3
-0.01943
-0.00578
0.00000
4
0.01220
0.00945
0.00000
5
0.02812
0.00749
0.00000
6
-0.02794
0.03199
0.00000
7
-0.02438
-0.01281
0.00000
8
-0.00574
-0.00960
0.00000
9
-0.00027
0.00950
0.00000
10
0.00893
-0.00366
0.00000
11
-0.00490
0.00749
0.00000
12
0.00002
0.00539
0.00000
13
0.02796
-0.03174
0.00000
14
-0.03816
-0.00819
0.00000
15
0.00926
-0.00745
0.00000
16
-0.01018
-0.00665
0.00000
17
0.02244
0.00014
0.00000
18
-0.00726
0.01426
0.00000
19
0.00544
-0.00353
0.00000
20
-0.01728
-0.09431
0.00000
21
0.07007
0.25481
0.00000
22
0.07092
0.20760
0.00000
23
-0.02323
-0.06790
0.00000
24
0.38039
-0.39921
0.00000
25
-0.51992
-0.12897
0.00000
26
0.00362
0.00350
0.00000
27
0.00780
-0.00639
0.00000
28
-0.06339
-0.17781
0.00000
29
0.30872
0.05822
0.00000
30
-0.10081
0.11964
0.00000