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)
0.47800
Diff mu Y
(Debye)
-0.03600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00291
0.00051
0.00000
2
-0.01763
0.00503
0.00000
3
0.00022
-0.00013
0.00000
4
0.00027
-0.00010
0.00000
5
0.00031
0.00070
0.00000
6
0.00012
-0.00082
0.00000
7
-0.00085
0.00077
0.00000
8
-0.01255
0.00412
0.00000
9
-0.02588
0.00820
0.00000
10
-0.03910
0.00917
0.00000
11
0.00017
-0.00045
0.00000
12
0.00272
0.00267
0.00000
13
-0.01652
-0.01891
0.00000
14
-0.00761
0.04011
0.00000
15
0.02718
0.02262
0.00000
16
0.00375
-0.00303
0.00000
17
-0.00399
0.01539
0.00000
18
0.01218
0.00902
0.00000
19
0.03472
-0.00860
0.00000
20
0.20929
-0.05597
0.00000
21
0.30284
-0.08471
0.00000
22
0.43930
-0.12528
0.00000
23
0.14699
-0.04521
0.00000
24
0.20660
0.20513
0.00000
25
0.10453
-0.44757
0.00000
26
-0.03696
-0.03366
0.00000
27
-0.31494
-0.26135
0.00000
28
-0.04091
0.01586
0.00000
29
0.03483
-0.17607
0.00000
30
-0.13222
-0.11199
0.00000