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)
-0.07900
Diff mu Y
(Debye)
0.00700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02857
0.07449
0.00000
2
-0.05434
-0.07303
0.00000
3
-0.00570
0.04938
0.00000
4
-0.01180
-0.03937
0.00000
5
0.03175
0.03026
0.00000
6
0.00241
-0.05003
0.00000
7
-0.01533
0.00914
0.00000
8
0.00575
0.01326
0.00000
9
0.07467
-0.03643
0.00000
10
0.07612
-0.00213
0.00000
11
-0.00729
-0.01193
0.00000
12
0.04289
0.04457
0.00000
13
-0.07692
-0.08003
0.00000
14
-0.02565
0.11706
0.00000
15
-0.02407
-0.02559
0.00000
16
0.05426
-0.01649
0.00000
17
-0.00277
0.03386
0.00000
18
-0.03861
-0.03268
0.00000
19
-0.03272
0.05972
0.00000
20
-0.06713
-0.11862
0.00000
21
0.09804
0.04959
0.00000
22
0.05265
-0.08098
0.00000
23
0.00366
-0.00161
0.00000
24
-0.03909
-0.11694
0.00000
25
0.02609
0.12977
0.00000
26
0.02470
0.06635
0.00000
27
-0.05981
0.01896
0.00000
28
0.05297
-0.02197
0.00000
29
-0.01088
0.03083
0.00000
30
-0.01043
-0.06628
0.00000