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)
-0.20800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01989
0.02449
2
0.00000
0.01989
-0.02449
3
0.00000
-0.00864
-0.02568
4
0.00000
-0.00509
0.00699
5
0.00000
-0.00509
-0.00699
6
0.00000
-0.00864
0.02568
7
0.00000
0.00971
0.00295
8
0.00000
0.01574
0.00582
9
0.00000
0.01574
-0.00582
10
0.00000
0.00971
-0.00295
11
0.00000
-0.01068
0.07148
12
0.00000
-0.00542
-0.00574
13
0.00000
-0.00542
0.00574
14
0.00000
-0.01068
-0.07148
15
0.00000
-0.01650
-0.02642
16
0.00000
-0.01650
0.02642
17
0.00000
0.01148
0.04191
18
0.00000
0.00920
-0.00397
19
0.00000
0.00920
0.00397
20
0.00000
0.01148
-0.04191
21
0.00000
-0.02023
-0.02592
22
0.00000
-0.01655
-0.00764
23
0.00000
-0.01655
0.00764
24
0.00000
-0.02023
0.02592
25
0.00000
-0.01310
-0.12499
26
0.00000
-0.01310
0.12499
27
0.00000
0.03577
0.08376
28
0.00000
0.03577
-0.08376
29
0.00000
0.01242
-0.06684
30
0.00000
0.01073
0.01036
31
0.00000
0.01073
-0.01036
32
0.00000
0.01242
0.06684
33
0.00000
0.00913
-0.00652
34
0.00000
0.02898
0.01936
35
0.00000
0.02898
-0.01936
36
0.00000
0.00913
0.00652
37
0.00000
-0.13510
-0.00527
38
0.00000
0.01790
0.00777
39
0.00000
0.01790
-0.00777
40
0.00000
-0.13510
0.00527
41
0.00000
-0.01021
0.20801
42
0.00000
-0.01021
-0.20801