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)
-0.56800
Diff mu Y
(Debye)
-0.06300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01948
0.05737
0.00000
2
-0.00947
-0.06583
0.00000
3
-0.01692
-0.02043
0.00000
4
-0.01374
0.02152
0.00000
5
-0.01818
-0.07801
0.00000
6
0.00194
0.07134
0.00000
7
0.03882
0.05099
0.00000
8
0.02161
0.00381
0.00000
9
0.02039
0.05787
0.00000
10
0.01013
-0.01711
0.00000
11
-0.04796
-0.04088
0.00000
12
-0.01586
0.02762
0.00000
13
-0.00311
-0.00462
0.00000
14
-0.01998
-0.01230
0.00000
15
0.04402
-0.09995
0.00000
16
-0.02712
0.05394
0.00000
17
-0.01142
0.01274
0.00000
18
0.04734
-0.02444
0.00000
19
-0.05268
-0.20460
0.00000
20
0.05224
0.17028
0.00000
21
-0.04215
-0.16683
0.00000
22
0.02753
0.03661
0.00000
23
0.01466
-0.02747
0.00000
24
0.05434
-0.06217
0.00000
25
0.05873
0.00499
0.00000
26
0.13438
-0.13827
0.00000
27
-0.27974
0.26297
0.00000
28
-0.04153
0.02558
0.00000
29
-0.04539
0.01050
0.00000
30
-0.11816
0.16461
0.00000