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)
-0.60300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03564
0.03822
2
0.00000
0.03564
-0.03822
3
0.00000
-0.03754
-0.01699
4
0.00000
0.01823
-0.03789
5
0.00000
0.01824
0.03789
6
0.00000
-0.03752
0.01699
7
0.00000
0.05960
-0.03838
8
0.00000
-0.05556
0.08211
9
0.00000
-0.05557
-0.08211
10
0.00000
0.05960
0.03838
11
0.00000
-0.01864
0.00392
12
0.00000
0.00068
-0.03964
13
0.00000
0.00067
0.03964
14
0.00000
-0.01863
-0.00392
15
0.00000
-0.01604
-0.02287
16
0.00000
-0.01604
0.02287
17
0.00000
-0.02245
-0.02614
18
0.00000
-0.00030
-0.01026
19
0.00000
-0.00030
0.01026
20
0.00000
-0.02245
0.02614
21
0.00000
0.01396
0.05328
22
0.00000
0.02874
-0.02183
23
0.00000
0.02874
0.02183
24
0.00000
0.01395
-0.05328
25
0.00000
-0.00019
0.01886
26
0.00000
-0.00019
-0.01887
27
0.00000
0.01403
0.01062
28
0.00000
0.01403
-0.01062
29
0.00000
-0.02841
0.04817
30
0.00000
0.00080
-0.05770
31
0.00000
0.00080
0.05769
32
0.00000
-0.02841
-0.04818
33
0.00000
-0.25903
-0.11227
34
0.00000
0.15350
0.04762
35
0.00000
0.15351
-0.04763
36
0.00000
-0.25903
0.11226
37
0.00000
-0.11578
-0.06594
38
0.00000
0.01107
-0.03519
39
0.00000
0.01107
0.03519
40
0.00000
-0.11578
0.06594
41
0.00000
-0.00227
-0.08428
42
0.00000
-0.00227
0.08429