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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.17700
Diff mu Y
(Debye)
-0.09000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02313
0.01463
0.00000
2
-0.02251
0.01945
0.00000
3
-0.01682
0.01017
0.00000
4
0.06597
0.02236
0.00000
5
0.03508
-0.00754
0.00000
6
-0.00291
-0.01308
0.00000
7
-0.02921
-0.01313
0.00000
8
-0.04964
0.03565
0.00000
9
-0.02650
0.02894
0.00000
10
-0.02763
-0.01168
0.00000
11
0.04875
-0.01814
0.00000
12
-0.00283
-0.03911
0.00000
13
0.02019
-0.02064
0.00000
14
0.00603
0.00210
0.00000
15
-0.00353
0.03093
0.00000
16
0.00685
-0.01726
0.00000
17
-0.03678
0.01478
0.00000
18
0.03965
-0.01547
0.00000
19
-0.03315
-0.01340
0.00000
20
-0.05034
-0.08172
0.00000
21
0.03213
0.24475
0.00000
22
-0.05214
-0.09312
0.00000
23
0.05475
0.38749
0.00000
24
0.22078
-0.22349
0.00000
25
0.05559
0.01522
0.00000
26
0.27376
-0.33438
0.00000
27
-0.11644
0.16345
0.00000
28
-0.05549
-0.20836
0.00000
29
-0.22709
-0.02232
0.00000
30
0.12350
-0.10754
0.00000