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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.18200
Diff mu Y
(Debye)
-0.80300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00696
0.00211
0.00000
2
0.02115
-0.00541
0.00000
3
0.00022
0.00026
0.00000
4
0.00053
0.00050
0.00000
5
-0.00035
-0.00180
0.00000
6
-0.00063
-0.00191
0.00000
7
-0.00014
0.00007
0.00000
8
0.01512
-0.00478
0.00000
9
0.04491
-0.01213
0.00000
10
-0.04225
0.01269
0.00000
11
-0.00014
-0.00066
0.00000
12
-0.01349
-0.01266
0.00000
13
-0.01982
-0.01737
0.00000
14
0.00537
-0.01543
0.00000
15
0.00008
-0.00001
0.00000
16
0.00618
-0.00225
0.00000
17
-0.00271
0.01141
0.00000
18
-0.00703
-0.00649
0.00000
19
0.08134
-0.02027
0.00000
20
-0.24939
0.07043
0.00000
21
-0.53112
0.15205
0.00000
22
0.50034
-0.14425
0.00000
23
-0.18806
0.05782
0.00000
24
0.22821
0.21680
0.00000
25
-0.04947
0.18997
0.00000
26
0.16228
0.14880
0.00000
27
0.00326
0.00323
0.00000
28
-0.07452
0.02477
0.00000
29
0.02812
-0.13683
0.00000
30
0.08863
0.07893
0.00000