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)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 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)
0.75900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.12531
2
0.00000
0.00000
-0.06397
3
0.00000
0.00000
0.05079
4
0.00000
0.00000
0.03015
5
0.00000
0.00000
0.05273
6
0.00000
0.00000
0.00990
7
0.00000
0.00000
-0.02537
8
0.00000
0.00000
-0.00578
9
0.00000
0.00000
-0.01334
10
0.00000
0.00000
0.04289
11
0.00000
0.00000
0.01322
12
0.00000
0.00000
-0.02094
13
0.00000
0.00000
-0.03727
14
0.00000
0.00000
-0.01321
15
0.00000
0.00000
0.01772
16
0.00000
0.00000
-0.01514
17
0.00000
0.00000
-0.00262
18
0.00000
0.00000
0.00282
19
0.00000
0.00000
0.59593
20
0.00000
0.00000
0.32988
21
0.00000
0.00000
0.06700
22
0.00000
0.00000
-0.24752
23
0.00000
0.00000
0.01422
24
0.00000
0.00000
0.23771
25
0.00000
0.00000
0.07374
26
0.00000
0.00000
0.12406
27
0.00000
0.00000
-0.03275
28
0.00000
0.00000
0.05667
29
0.00000
0.00000
0.04976
30
0.00000
0.00000
-0.04554