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)
-0.46000
Diff mu Y
(Debye)
0.98200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05086
-0.02489
0.00000
2
-0.03944
0.01911
0.00000
3
0.06959
0.03880
0.00000
4
0.02275
-0.02037
0.00000
5
0.04029
0.00345
0.00000
6
0.03113
0.05573
0.00000
7
0.10862
0.00561
0.00000
8
-0.02617
-0.02077
0.00000
9
-0.03309
-0.01246
0.00000
10
-0.00121
0.00363
0.00000
11
0.03446
-0.00779
0.00000
12
-0.02820
0.01170
0.00000
13
0.00031
0.01434
0.00000
14
0.01138
-0.02344
0.00000
15
-0.07075
0.03744
0.00000
16
-0.00395
-0.03802
0.00000
17
0.01607
0.00798
0.00000
18
-0.00551
-0.01044
0.00000
19
-0.09843
-0.20974
0.00000
20
-0.09266
-0.16783
0.00000
21
-0.02873
-0.00195
0.00000
22
-0.04072
-0.14743
0.00000
23
-0.07086
-0.17013
0.00000
24
0.03249
-0.02181
0.00000
25
-0.02423
-0.03284
0.00000
26
-0.20009
0.20079
0.00000
27
-0.31073
0.31464
0.00000
28
-0.05673
-0.19452
0.00000
29
-0.03042
-0.00400
0.00000
30
0.02326
-0.03688
0.00000