Charge: 1
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/q+1
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)
1.95500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00632
0.01063
2
0.00000
-0.00632
0.01063
3
0.00000
0.05617
-0.00058
4
0.00000
-0.00180
-0.00001
5
0.00000
0.00180
-0.00001
6
0.00000
-0.05617
-0.00058
7
0.00000
0.09996
0.04000
8
0.00000
-0.02224
-0.02658
9
0.00000
0.02224
-0.02658
10
0.00000
-0.09996
0.04000
11
0.00000
0.02099
-0.09164
12
0.00000
-0.00526
0.01499
13
0.00000
0.00526
0.01499
14
0.00000
-0.02099
-0.09164
15
0.00000
-0.00155
-0.01308
16
0.00000
0.00155
-0.01308
17
0.00000
-0.01494
0.00500
18
0.00000
0.01299
0.00426
19
0.00000
-0.01299
0.00426
20
0.00000
0.01494
0.00500
21
0.00000
-0.03598
0.00923
22
0.00000
-0.00539
-0.00424
23
0.00000
0.00539
-0.00424
24
0.00000
0.03598
0.00923
25
0.00000
-0.01529
0.03139
26
0.00000
0.01529
0.03139
27
0.00000
-0.01439
-0.00036
28
0.00000
0.01439
-0.00036
29
0.00000
-0.01715
0.02932
30
0.00000
0.01369
0.02517
31
0.00000
-0.01369
0.02517
32
0.00000
0.01715
0.02932
33
0.00000
-0.27970
-0.13390
34
0.00000
0.07796
0.04138
35
0.00000
-0.07796
0.04138
36
0.00000
0.27970
-0.13390
37
0.00000
0.03976
0.03249
38
0.00000
0.07531
0.06581
39
0.00000
-0.07531
0.06581
40
0.00000
-0.03976
0.03249
41
0.00000
-0.01689
0.18978
42
0.00000
0.01689
0.18978