Charge: 0
Inchi:1S/C14H9/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-7,9-10H
Electronic States
Energy
(eV)
-538.14563
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.07406 b
(cm-1)
0.01508 c
(cm-1)
0.01253
Dipole Moments
mu_x(Debye)
0.27998 mu_y
(Debye)
0.13249 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.08300
Diff mu Y
(Debye)
-0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01842
0.00304
0.00000
2
0.04750
-0.02441
0.00000
3
-0.05008
0.12466
0.00000
4
-0.03337
0.00379
0.00000
5
0.00279
-0.05178
0.00000
6
-0.06970
-0.01668
0.00000
7
0.03617
-0.02757
0.00000
8
0.01195
0.00199
0.00000
9
-0.00121
0.01433
0.00000
10
0.02870
-0.03512
0.00000
11
0.02056
-0.00697
0.00000
12
0.00363
-0.00641
0.00000
13
-0.01748
0.01960
0.00000
14
0.01187
0.01402
0.00000
15
0.01349
-0.40293
0.00000
16
0.05493
0.24632
0.00000
17
0.03867
-0.40954
0.00000
18
0.01178
0.24660
0.00000
19
-0.00511
0.14834
0.00000
20
-0.07692
-0.06412
0.00000
21
0.09260
-0.05499
0.00000
22
-0.04614
0.00421
0.00000
23
-0.19937
0.13730
0.00000