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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
0.91300
Eigenvectors
#
X
Y
Z
1
0.00000
0.06964
-0.00166
2
0.00000
-0.06964
-0.00166
3
0.00000
-0.06759
-0.00714
4
0.00000
0.09541
0.00790
5
0.00000
-0.09541
0.00790
6
0.00000
0.06759
-0.00713
7
0.00000
0.04344
0.00786
8
0.00000
-0.06374
-0.00473
9
0.00000
0.06375
-0.00473
10
0.00000
-0.04344
0.00786
11
0.00000
-0.03292
-0.00356
12
0.00000
0.08538
0.01420
13
0.00000
-0.08538
0.01420
14
0.00000
0.03292
-0.00356
15
0.00000
-0.03732
-0.00507
16
0.00000
0.03732
-0.00507
17
0.00000
0.01499
0.01756
18
0.00000
-0.01470
-0.00685
19
0.00000
0.01470
-0.00685
20
0.00000
-0.01499
0.01756
21
0.00000
-0.03454
-0.02126
22
0.00000
0.03659
0.01259
23
0.00000
-0.03659
0.01259
24
0.00000
0.03454
-0.02126
25
0.00000
0.01378
0.00893
26
0.00000
-0.01378
0.00893
27
0.00000
-0.02869
-0.01012
28
0.00000
0.02869
-0.01012
29
0.00000
0.01733
-0.02772
30
0.00000
-0.01666
0.00965
31
0.00000
0.01666
0.00965
32
0.00000
-0.01733
-0.02772
33
0.00000
0.04880
0.03163
34
0.00000
-0.03722
-0.03261
35
0.00000
0.03722
-0.03261
36
0.00000
-0.04880
0.03163
37
0.00000
0.02304
0.02166
38
0.00000
-0.07423
-0.08836
39
0.00000
0.07423
-0.08836
40
0.00000
-0.02304
0.02166
41
0.00000
0.01481
-0.01724
42
0.00000
-0.01481
-0.01725