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)
-0.12200
Diff mu Y
(Debye)
-0.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00677
0.09824
0.00000
2
-0.04444
-0.01467
0.00000
3
0.01836
0.06398
0.00000
4
-0.00056
0.01922
0.00000
5
-0.00881
0.06891
0.00000
6
-0.03771
-0.02072
0.00000
7
-0.02446
0.02807
0.00000
8
-0.02311
0.03725
0.00000
9
0.05567
0.02146
0.00000
10
-0.03104
-0.06048
0.00000
11
-0.03826
0.02206
0.00000
12
-0.05998
0.02250
0.00000
13
0.04832
-0.00395
0.00000
14
0.01675
-0.10855
0.00000
15
-0.04382
-0.05815
0.00000
16
0.04503
-0.05915
0.00000
17
0.05728
-0.06141
0.00000
18
0.06484
0.00662
0.00000
19
0.01183
0.11456
0.00000
20
-0.04531
-0.01781
0.00000
21
0.04101
-0.03793
0.00000
22
-0.01631
-0.01010
0.00000
23
-0.01183
0.07937
0.00000
24
-0.01029
0.05546
0.00000
25
-0.00332
-0.11502
0.00000
26
-0.07738
0.04032
0.00000
27
-0.04888
-0.04904
0.00000
28
0.06826
0.00438
0.00000
29
0.00818
-0.07321
0.00000
30
0.07416
-0.00575
0.00000