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)
0.21300
Diff mu Y
(Debye)
0.42000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03890
-0.03555
0.00000
2
0.02025
0.01963
0.00000
3
0.06097
0.03979
0.00000
4
-0.04351
-0.02185
0.00000
5
0.03608
-0.04474
0.00000
6
-0.03824
0.04881
0.00000
7
-0.02369
-0.01924
0.00000
8
0.02222
-0.02008
0.00000
9
-0.01734
0.11220
0.00000
10
-0.02126
-0.08549
0.00000
11
0.03922
-0.01288
0.00000
12
-0.04496
0.04939
0.00000
13
0.06766
-0.11346
0.00000
14
-0.00152
0.06204
0.00000
15
-0.00743
0.03289
0.00000
16
0.00481
-0.03578
0.00000
17
-0.02441
0.01075
0.00000
18
0.01492
-0.00576
0.00000
19
-0.00715
0.09380
0.00000
20
0.00411
-0.03156
0.00000
21
-0.08934
-0.12113
0.00000
22
0.04169
0.13997
0.00000
23
0.02778
-0.02184
0.00000
24
-0.17786
0.13720
0.00000
25
-0.08357
0.04655
0.00000
26
0.07093
-0.07190
0.00000
27
0.05885
-0.03623
0.00000
28
0.03787
0.05902
0.00000
29
0.04882
0.02911
0.00000
30
0.00984
0.00693
0.00000