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)
-0.56500
Diff mu Y
(Debye)
-0.04100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02620
0.03367
0.00000
2
-0.06918
0.06656
0.00000
3
0.08502
-0.10517
0.00000
4
0.01224
0.00601
0.00000
5
-0.02131
0.03297
0.00000
6
0.00876
0.01082
0.00000
7
0.03111
-0.10597
0.00000
8
-0.03879
0.00359
0.00000
9
0.05330
-0.01414
0.00000
10
0.06448
-0.03119
0.00000
11
0.01270
0.00273
0.00000
12
-0.01340
-0.01195
0.00000
13
-0.03457
-0.02072
0.00000
14
-0.02205
0.01528
0.00000
15
-0.00330
0.01890
0.00000
16
-0.08907
0.03689
0.00000
17
0.00763
-0.02656
0.00000
18
0.05461
0.05288
0.00000
19
0.02888
0.24006
0.00000
20
-0.05665
0.11974
0.00000
21
0.05786
-0.00299
0.00000
22
0.04939
-0.09168
0.00000
23
-0.04147
-0.00358
0.00000
24
-0.07718
0.02499
0.00000
25
-0.05038
0.00883
0.00000
26
0.03368
-0.06671
0.00000
27
-0.04302
0.06065
0.00000
28
-0.08168
0.06686
0.00000
29
0.00996
-0.02421
0.00000
30
0.02805
0.08952
0.00000