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)
0.06200
Diff mu Y
(Debye)
-0.06000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03020
-0.00798
0.00000
2
-0.00298
0.00027
0.00000
3
-0.00033
-0.00049
0.00000
4
0.00022
-0.00013
0.00000
5
0.00001
0.00098
0.00000
6
0.00022
0.00062
0.00000
7
0.00003
0.00061
0.00000
8
-0.00090
0.00060
0.00000
9
-0.00221
0.00087
0.00000
10
0.01775
-0.00399
0.00000
11
0.00071
-0.00012
0.00000
12
0.00469
0.00499
0.00000
13
-0.02553
-0.02349
0.00000
14
0.01033
-0.04234
0.00000
15
0.01437
0.01181
0.00000
16
-0.01962
0.00577
0.00000
17
-0.00785
0.03477
0.00000
18
0.01758
0.01294
0.00000
19
-0.36209
0.09567
0.00000
20
0.03722
-0.00979
0.00000
21
0.01220
-0.00381
0.00000
22
-0.19060
0.05393
0.00000
23
0.01665
-0.00636
0.00000
24
0.28002
0.27157
0.00000
25
-0.11120
0.47801
0.00000
26
-0.05811
-0.05411
0.00000
27
-0.17646
-0.14734
0.00000
28
0.22167
-0.07468
0.00000
29
0.07946
-0.39368
0.00000
30
-0.18559
-0.15800
0.00000