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)
-692.28444
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)
0.01500
Diff mu Y
(Debye)
-0.01100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00822
-0.00115
0.00000
2
-0.01128
0.00733
0.00000
3
0.01819
-0.02365
0.00000
4
-0.01320
-0.02756
0.00000
5
-0.04007
-0.02604
0.00000
6
0.02360
-0.04351
0.00000
7
0.00657
0.04228
0.00000
8
0.00711
0.01681
0.00000
9
0.01374
0.00359
0.00000
10
-0.01200
0.01245
0.00000
11
-0.00609
0.01115
0.00000
12
0.00696
-0.01063
0.00000
13
-0.01087
0.02186
0.00000
14
0.02023
0.01047
0.00000
15
-0.00264
-0.00871
0.00000
16
0.01085
0.01702
0.00000
17
-0.03553
0.00402
0.00000
18
0.01482
-0.02971
0.00000
19
0.01621
0.09516
0.00000
20
0.04296
0.21215
0.00000
21
-0.03699
-0.18268
0.00000
22
-0.06395
-0.16691
0.00000
23
0.05625
0.17061
0.00000
24
-0.29736
0.31073
0.00000
25
0.41299
0.10782
0.00000
26
0.07644
-0.08199
0.00000
27
0.06985
-0.09160
0.00000
28
0.07741
0.21946
0.00000
29
-0.34547
-0.05947
0.00000
30
0.20396
-0.24775
0.00000