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)
-692.28642
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)
-0.03500
Diff mu Y
(Debye)
-2.29900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00653
0.06085
0.00000
2
0.02345
0.03122
0.00000
3
0.05796
-0.04206
0.00000
4
-0.06382
-0.00083
0.00000
5
-0.03321
-0.04276
0.00000
6
0.00276
-0.03985
0.00000
7
-0.08258
0.00462
0.00000
8
0.02429
-0.00759
0.00000
9
0.03291
0.02303
0.00000
10
-0.00264
0.04387
0.00000
11
0.05523
0.02121
0.00000
12
-0.03013
0.01983
0.00000
13
-0.05123
0.02507
0.00000
14
0.03888
-0.02170
0.00000
15
0.04571
0.03841
0.00000
16
-0.05145
-0.11475
0.00000
17
0.06492
0.04808
0.00000
18
-0.02771
-0.01890
0.00000
19
-0.07004
-0.21602
0.00000
20
-0.02005
-0.12522
0.00000
21
0.00118
-0.09545
0.00000
22
-0.04358
-0.09451
0.00000
23
0.03182
0.01623
0.00000
24
0.07749
-0.11210
0.00000
25
-0.06132
-0.04989
0.00000
26
0.02255
-0.03567
0.00000
27
-0.02337
0.12457
0.00000
28
0.06341
0.22882
0.00000
29
-0.05019
0.02786
0.00000
30
-0.04563
0.00092
0.00000