Charge: -1
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-1
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)
-0.32700
Diff mu Y
(Debye)
0.07600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00277
0.00065
0.00000
2
-0.06589
0.01798
0.00000
3
0.00046
0.00008
0.00000
4
-0.00048
-0.00343
0.00000
5
0.00046
-0.00039
0.00000
6
0.00101
0.00291
0.00000
7
-0.00005
0.00009
0.00000
8
0.03041
-0.00938
0.00000
9
0.00307
-0.00073
0.00000
10
0.01520
-0.00411
0.00000
11
0.00041
-0.00071
0.00000
12
-0.01905
-0.01725
0.00000
13
-0.00234
-0.00241
0.00000
14
-0.00206
0.00618
0.00000
15
0.00061
0.00053
0.00000
16
-0.00128
0.00042
0.00000
17
0.00033
-0.00277
0.00000
18
0.00596
0.00516
0.00000
19
0.03352
-0.00847
0.00000
20
0.76079
-0.20450
0.00000
21
-0.03760
0.01025
0.00000
22
-0.17630
0.04653
0.00000
23
-0.35725
0.11384
0.00000
24
0.02919
0.02891
0.00000
25
0.01984
-0.08071
0.00000
26
0.22406
0.21459
0.00000
27
-0.00725
-0.00601
0.00000
28
0.01540
-0.00497
0.00000
29
-0.00694
0.03470
0.00000
30
-0.06899
-0.05879
0.00000