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)
-1.18800
Diff mu Y
(Debye)
-0.00700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02095
0.00520
0.00000
2
-0.00500
0.00130
0.00000
3
0.00091
0.00066
0.00000
4
0.00108
0.00161
0.00000
5
0.00019
-0.00029
0.00000
6
0.00041
-0.00060
0.00000
7
-0.00014
0.00042
0.00000
8
-0.05014
0.01941
0.00000
9
-0.01221
0.00415
0.00000
10
-0.01250
0.00277
0.00000
11
0.00154
-0.00153
0.00000
12
-0.03583
-0.03927
0.00000
13
-0.01005
-0.01174
0.00000
14
-0.00234
0.01467
0.00000
15
0.00867
0.00724
0.00000
16
0.00077
-0.00092
0.00000
17
-0.00297
0.01329
0.00000
18
0.00038
-0.00012
0.00000
19
0.24062
-0.06304
0.00000
20
0.05723
-0.01703
0.00000
21
0.13849
-0.03847
0.00000
22
0.13625
-0.03760
0.00000
23
0.56624
-0.17943
0.00000
24
0.12361
0.12554
0.00000
25
0.03875
-0.16491
0.00000
26
0.42281
0.40863
0.00000
27
-0.09885
-0.08384
0.00000
28
-0.01050
0.00459
0.00000
29
0.03102
-0.15086
0.00000
30
-0.00033
0.00285
0.00000