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)
-0.11200
Diff mu Y
(Debye)
0.05800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05392
-0.03696
0.00000
2
0.04850
-0.02946
0.00000
3
0.00957
0.00057
0.00000
4
0.01632
-0.01569
0.00000
5
0.07691
-0.03886
0.00000
6
0.06955
-0.07171
0.00000
7
-0.03296
0.02134
0.00000
8
-0.01708
0.02412
0.00000
9
0.03447
0.00546
0.00000
10
-0.00614
-0.10725
0.00000
11
-0.04050
0.03192
0.00000
12
-0.04491
0.02174
0.00000
13
-0.04397
-0.01239
0.00000
14
-0.05943
-0.06573
0.00000
15
-0.02799
0.06339
0.00000
16
-0.00721
0.07860
0.00000
17
-0.00304
0.07552
0.00000
18
-0.01408
0.04374
0.00000
19
0.04379
-0.06939
0.00000
20
0.06026
0.01056
0.00000
21
0.05161
0.06628
0.00000
22
-0.02467
-0.17608
0.00000
23
-0.00416
0.06408
0.00000
24
-0.08350
0.02742
0.00000
25
-0.10368
-0.07712
0.00000
26
-0.04707
0.02463
0.00000
27
-0.04685
0.08211
0.00000
28
-0.00512
0.08619
0.00000
29
0.01165
0.07867
0.00000
30
0.00553
0.02147
0.00000