Charge: -1
Inchi:1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/q-1
Electronic States
Energy
(eV)
-691.62195
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.04269 b
(cm-1)
0.00858 c
(cm-1)
0.00715
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07111
0.05153
0.00000
2
-0.07110
-0.05153
0.00000
3
0.00345
0.06445
0.00000
4
-0.01298
-0.03419
0.00000
5
0.06641
-0.02370
0.00000
6
-0.07038
-0.00390
0.00000
7
0.00834
0.00207
0.00000
8
0.02273
-0.03678
0.00000
9
0.00609
0.00860
0.00000
10
-0.01167
0.03658
0.00000
11
0.01167
-0.03657
0.00000
12
-0.00610
-0.00861
0.00000
13
-0.02272
0.03677
0.00000
14
-0.00834
-0.00207
0.00000
15
0.07036
0.00390
0.00000
16
-0.06639
0.02369
0.00000
17
0.01298
0.03419
0.00000
18
-0.00345
-0.06445
0.00000
19
0.00516
0.00523
0.00000
20
-0.01442
0.03700
0.00000
21
-0.18492
-0.01879
0.00000
22
-0.10479
0.12324
0.00000
23
0.04019
0.09525
0.00000
24
-0.21940
0.23936
0.00000
25
0.21938
-0.23934
0.00000
26
-0.04019
-0.09526
0.00000
27
0.10478
-0.12323
0.00000
28
0.18489
0.01878
0.00000
29
0.01441
-0.03701
0.00000
30
-0.00517
-0.00525
0.00000