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)
0.57000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02753
0.02699
2
0.00000
-0.02753
-0.02699
3
0.00000
-0.00013
0.02575
4
0.00000
0.00330
-0.04302
5
0.00000
0.00330
0.04302
6
0.00000
-0.00013
-0.02575
7
0.00000
0.04098
0.04034
8
0.00000
0.01710
-0.05792
9
0.00000
0.01710
0.05792
10
0.00000
0.04098
-0.04034
11
0.00000
0.00991
0.04099
12
0.00000
-0.01492
-0.05139
13
0.00000
-0.01492
0.05139
14
0.00000
0.00991
-0.04099
15
0.00000
-0.04412
-0.03407
16
0.00000
-0.04412
0.03407
17
0.00000
0.02831
0.00982
18
0.00000
-0.04043
0.07064
19
0.00000
-0.04043
-0.07064
20
0.00000
0.02831
-0.00982
21
0.00000
0.06035
0.00297
22
0.00000
0.02034
0.03318
23
0.00000
0.02034
-0.03318
24
0.00000
0.06035
-0.00297
25
0.00000
-0.02389
0.04233
26
0.00000
-0.02389
-0.04233
27
0.00000
-0.03184
0.04230
28
0.00000
-0.03184
-0.04230
29
0.00000
0.02838
0.08629
30
0.00000
-0.04094
0.11538
31
0.00000
-0.04094
-0.11538
32
0.00000
0.02838
-0.08629
33
0.00000
0.04782
-0.00510
34
0.00000
0.09619
0.07730
35
0.00000
0.09619
-0.07730
36
0.00000
0.04782
0.00510
37
0.00000
0.00642
0.06453
38
0.00000
-0.08209
-0.09059
39
0.00000
-0.08209
0.09059
40
0.00000
0.00642
-0.06453
41
0.00000
-0.02509
0.01254
42
0.00000
-0.02509
-0.01254