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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.12000
Diff mu Y
(Debye)
-0.02500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05640
-0.03120
0.00000
2
0.04532
-0.03597
0.00000
3
0.01607
0.00421
0.00000
4
0.02192
-0.01309
0.00000
5
0.07239
-0.03878
0.00000
6
0.06570
-0.07604
0.00000
7
-0.02215
0.02700
0.00000
8
-0.01015
0.02473
0.00000
9
0.02947
0.00247
0.00000
10
-0.00993
-0.11331
0.00000
11
-0.03247
0.04117
0.00000
12
-0.03596
0.02813
0.00000
13
-0.04778
-0.01521
0.00000
14
-0.06287
-0.06911
0.00000
15
-0.01940
0.05807
0.00000
16
-0.01433
0.07091
0.00000
17
-0.01622
0.07378
0.00000
18
-0.02112
0.05264
0.00000
19
0.04685
-0.06080
0.00000
20
0.05579
0.00082
0.00000
21
0.04469
0.06231
0.00000
22
-0.02745
-0.17690
0.00000
23
0.00222
0.06362
0.00000
24
-0.08774
0.02485
0.00000
25
-0.11398
-0.08215
0.00000
26
-0.03551
0.02895
0.00000
27
-0.02965
0.06782
0.00000
28
-0.01736
0.06719
0.00000
29
-0.00389
0.07698
0.00000
30
-0.01109
0.04139
0.00000