Charge: 2
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+2
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)
-0.75200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03081
0.02674
2
0.00000
-0.03081
-0.02674
3
0.00000
0.00905
-0.04568
4
0.00000
0.00526
0.00302
5
0.00000
0.00526
-0.00302
6
0.00000
0.00905
0.04568
7
0.00000
0.00906
0.04948
8
0.00000
0.03678
0.02003
9
0.00000
0.03678
-0.02003
10
0.00000
0.00906
-0.04948
11
0.00000
0.00605
-0.05981
12
0.00000
-0.02406
-0.02871
13
0.00000
-0.02406
0.02871
14
0.00000
0.00605
0.05981
15
0.00000
0.02847
-0.00604
16
0.00000
0.02847
0.00604
17
0.00000
-0.00247
-0.04522
18
0.00000
-0.00572
-0.04324
19
0.00000
-0.00572
0.04324
20
0.00000
-0.00247
0.04522
21
0.00000
-0.02127
0.00592
22
0.00000
-0.02232
0.01272
23
0.00000
-0.02232
-0.01272
24
0.00000
-0.02127
-0.00592
25
0.00000
-0.03623
0.01715
26
0.00000
-0.03623
-0.01715
27
0.00000
0.04771
0.04858
28
0.00000
0.04771
-0.04858
29
0.00000
-0.00308
0.15339
30
0.00000
-0.00728
0.16089
31
0.00000
-0.00728
-0.16089
32
0.00000
-0.00308
-0.15339
33
0.00000
0.14217
0.10333
34
0.00000
0.03972
0.05397
35
0.00000
0.03972
-0.05397
36
0.00000
0.14217
-0.10333
37
0.00000
-0.23107
-0.11234
38
0.00000
0.10525
0.04402
39
0.00000
0.10525
-0.04402
40
0.00000
-0.23107
0.11234
41
0.00000
-0.03994
-0.16927
42
0.00000
-0.03994
0.16927