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)
0.41200
Diff mu Y
(Debye)
0.09400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06148
-0.01434
0.00000
2
-0.06165
-0.00185
0.00000
3
0.08918
-0.01491
0.00000
4
0.00975
-0.03018
0.00000
5
0.07365
0.02768
0.00000
6
0.05557
0.01040
0.00000
7
0.05596
0.03779
0.00000
8
0.00963
-0.01621
0.00000
9
-0.03522
-0.02289
0.00000
10
-0.01970
0.01371
0.00000
11
-0.03965
0.06105
0.00000
12
0.00227
0.02212
0.00000
13
-0.00964
0.01949
0.00000
14
0.00213
-0.01391
0.00000
15
-0.03435
0.03335
0.00000
16
0.00046
-0.02782
0.00000
17
0.00706
-0.01900
0.00000
18
-0.01466
-0.02200
0.00000
19
-0.10840
-0.18944
0.00000
20
-0.03268
0.12289
0.00000
21
-0.09039
-0.20996
0.00000
22
0.02947
0.19267
0.00000
23
-0.02421
-0.13457
0.00000
24
0.02401
-0.01588
0.00000
25
-0.11416
-0.04243
0.00000
26
0.02040
0.01000
0.00000
27
-0.22152
0.25140
0.00000
28
-0.04657
-0.17540
0.00000
29
0.00107
-0.02368
0.00000
30
0.21376
-0.29141
0.00000