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)
0.05100
Diff mu Y
(Debye)
-0.07900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03484
0.08481
0.00000
2
-0.02788
-0.10110
0.00000
3
-0.04050
-0.06455
0.00000
4
0.01548
0.06596
0.00000
5
-0.00893
-0.02648
0.00000
6
0.02890
0.03569
0.00000
7
-0.02042
0.02165
0.00000
8
-0.01384
0.04929
0.00000
9
0.00567
-0.06687
0.00000
10
0.03333
0.04633
0.00000
11
0.01398
0.00396
0.00000
12
0.02486
-0.06464
0.00000
13
-0.01789
0.07197
0.00000
14
-0.04678
-0.04987
0.00000
15
0.03219
-0.04445
0.00000
16
-0.02248
0.03021
0.00000
17
0.06693
-0.01138
0.00000
18
-0.05824
0.03069
0.00000
19
-0.02370
-0.15189
0.00000
20
0.04148
0.14822
0.00000
21
0.04859
0.05936
0.00000
22
0.01324
-0.05381
0.00000
23
-0.04111
-0.01069
0.00000
24
0.11418
-0.05047
0.00000
25
0.12069
-0.01561
0.00000
26
-0.07951
0.03433
0.00000
27
-0.07372
0.07456
0.00000
28
-0.05108
-0.04170
0.00000
29
-0.09034
-0.04802
0.00000
30
0.03048
-0.07797
0.00000