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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.77500
Diff mu Y
(Debye)
0.30200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02606
0.00625
0.00000
2
0.00102
-0.00025
0.00000
3
-0.00010
0.00053
0.00000
4
0.00024
0.00002
0.00000
5
-0.00011
-0.00074
0.00000
6
0.00022
-0.00008
0.00000
7
0.00157
-0.00140
0.00000
8
0.00082
-0.00028
0.00000
9
-0.00233
0.00076
0.00000
10
0.00083
-0.00020
0.00000
11
0.00070
-0.00004
0.00000
12
0.00109
0.00100
0.00000
13
-0.00145
-0.00151
0.00000
14
0.00041
-0.00139
0.00000
15
-0.04960
-0.04417
0.00000
16
-0.03464
0.01288
0.00000
17
-0.00339
0.02225
0.00000
18
0.00766
0.00528
0.00000
19
0.30770
-0.08156
0.00000
20
-0.01157
0.00326
0.00000
21
0.02692
-0.00653
0.00000
22
-0.00910
0.00258
0.00000
23
-0.01026
0.00330
0.00000
24
0.01663
0.01684
0.00000
25
-0.00380
0.01548
0.00000
26
-0.01301
-0.01166
0.00000
27
0.57501
0.49761
0.00000
28
0.37653
-0.12554
0.00000
29
0.04691
-0.23778
0.00000
30
-0.07416
-0.06301
0.00000