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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.88100
Diff mu Y
(Debye)
-1.05300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03637
-0.07496
0.00000
2
0.01329
0.01720
0.00000
3
0.00954
0.03931
0.00000
4
0.04529
0.03680
0.00000
5
0.04225
0.02969
0.00000
6
-0.04226
-0.03547
0.00000
7
-0.01594
-0.00692
0.00000
8
-0.05777
-0.07476
0.00000
9
-0.00882
0.04401
0.00000
10
-0.00663
0.01295
0.00000
11
-0.06319
0.05834
0.00000
12
0.07661
-0.02179
0.00000
13
-0.00328
-0.04338
0.00000
14
0.04060
0.01593
0.00000
15
0.04134
-0.01896
0.00000
16
-0.04313
-0.02013
0.00000
17
0.06740
0.02912
0.00000
18
0.00099
-0.04523
0.00000
19
0.03516
0.21234
0.00000
20
0.01602
0.00237
0.00000
21
-0.05727
-0.11316
0.00000
22
-0.03979
-0.08985
0.00000
23
0.03474
0.23619
0.00000
24
-0.06987
0.01979
0.00000
25
-0.14892
-0.02744
0.00000
26
-0.13363
0.21525
0.00000
27
-0.04001
0.08220
0.00000
28
-0.01346
0.07814
0.00000
29
-0.16870
-0.01752
0.00000
30
-0.12788
0.09539
0.00000