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)
-692.28444
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)
-0.05600
Diff mu Y
(Debye)
-0.05900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03928
0.03473
0.00000
2
0.00812
-0.03358
0.00000
3
-0.02665
-0.00094
0.00000
4
-0.06563
-0.02331
0.00000
5
0.02401
0.02670
0.00000
6
0.02131
-0.03880
0.00000
7
-0.04602
-0.05978
0.00000
8
0.03854
-0.00432
0.00000
9
-0.03478
0.01858
0.00000
10
-0.03869
0.01051
0.00000
11
-0.05671
-0.04690
0.00000
12
0.03565
0.04115
0.00000
13
0.00680
-0.02152
0.00000
14
0.01637
0.00871
0.00000
15
0.06159
0.06760
0.00000
16
-0.03442
-0.01255
0.00000
17
-0.02277
-0.03255
0.00000
18
0.08075
0.06258
0.00000
19
0.05936
0.10487
0.00000
20
0.03805
0.07537
0.00000
21
-0.02877
0.05073
0.00000
22
-0.05030
-0.02015
0.00000
23
-0.01990
-0.20648
0.00000
24
0.09264
-0.11013
0.00000
25
0.16675
0.04685
0.00000
26
-0.13983
0.23015
0.00000
27
0.00513
0.13652
0.00000
28
-0.08766
-0.18044
0.00000
29
-0.26081
-0.07889
0.00000
30
0.14515
-0.00465
0.00000