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)
0.19200
Diff mu Y
(Debye)
-0.52300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02543
0.00671
0.00000
2
-0.00551
0.00157
0.00000
3
-0.00016
0.00020
0.00000
4
0.00005
0.00019
0.00000
5
-0.00061
-0.00021
0.00000
6
0.00003
0.00018
0.00000
7
-0.00117
0.00023
0.00000
8
-0.00782
0.00231
0.00000
9
-0.00006
0.00020
0.00000
10
-0.01447
0.00371
0.00000
11
-0.00083
-0.00010
0.00000
12
-0.00904
-0.00894
0.00000
13
0.01174
0.01111
0.00000
14
-0.00518
0.02109
0.00000
15
0.00201
0.00238
0.00000
16
0.04387
-0.01368
0.00000
17
0.01005
-0.04736
0.00000
18
-0.02049
-0.01522
0.00000
19
0.31395
-0.08421
0.00000
20
0.06031
-0.01697
0.00000
21
0.01181
-0.00273
0.00000
22
0.16312
-0.04713
0.00000
23
0.08501
-0.02631
0.00000
24
-0.13213
-0.12653
0.00000
25
0.06057
-0.24137
0.00000
26
0.10855
0.09985
0.00000
27
-0.00763
-0.00702
0.00000
28
-0.49521
0.15950
0.00000
29
-0.10715
0.53212
0.00000
30
0.21290
0.18488
0.00000