Charge: 0
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.01700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00166
-0.02709
2
0.00000
-0.00166
-0.02709
3
0.00000
0.00269
-0.05919
4
0.00000
-0.00996
-0.00477
5
0.00000
0.00996
-0.00477
6
0.00000
-0.00269
-0.05919
7
0.00000
-0.00274
-0.06449
8
0.00000
-0.02690
0.01764
9
0.00000
0.02690
0.01764
10
0.00000
0.00274
-0.06449
11
0.00000
0.00753
-0.04616
12
0.00000
-0.00222
0.01097
13
0.00000
0.00222
0.01097
14
0.00000
-0.00753
-0.04616
15
0.00000
0.01206
0.01642
16
0.00000
-0.01206
0.01642
17
0.00000
-0.02387
-0.02150
18
0.00000
-0.03077
0.04660
19
0.00000
0.03077
0.04660
20
0.00000
0.02387
-0.02150
21
0.00000
-0.00291
-0.04589
22
0.00000
-0.04224
0.06452
23
0.00000
0.04224
0.06452
24
0.00000
0.00291
-0.04589
25
0.00000
0.08500
0.01630
26
0.00000
-0.08500
0.01630
27
0.00000
0.00432
0.08596
28
0.00000
-0.00432
0.08596
29
0.00000
-0.02313
-0.04287
30
0.00000
-0.03193
0.03583
31
0.00000
0.03193
0.03583
32
0.00000
0.02313
-0.04287
33
0.00000
0.03627
-0.02268
34
0.00000
-0.02906
0.07382
35
0.00000
0.02906
0.07382
36
0.00000
-0.03627
-0.02268
37
0.00000
-0.06417
0.04723
38
0.00000
0.01084
0.01997
39
0.00000
-0.01084
0.01997
40
0.00000
0.06417
0.04723
41
0.00000
0.08348
0.01602
42
0.00000
-0.08348
0.01602