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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.32900
Eigenvectors
#
X
Y
Z
1
0.00000
0.04415
-0.01709
2
0.00000
-0.04415
-0.01709
3
0.00000
0.01734
-0.01752
4
0.00000
-0.00860
-0.03965
5
0.00000
0.00860
-0.03965
6
0.00000
-0.01734
-0.01752
7
0.00000
0.04927
-0.00735
8
0.00000
0.00003
-0.03101
9
0.00000
-0.00003
-0.03101
10
0.00000
-0.04927
-0.00735
11
0.00000
0.01090
-0.01202
12
0.00000
0.00254
-0.04023
13
0.00000
-0.00254
-0.04023
14
0.00000
-0.01090
-0.01202
15
0.00000
0.06482
0.03965
16
0.00000
-0.06482
0.03965
17
0.00000
0.07692
0.04465
18
0.00000
-0.04555
0.06207
19
0.00000
0.04555
0.06207
20
0.00000
-0.07692
0.04465
21
0.00000
0.06593
0.03618
22
0.00000
-0.00182
0.03616
23
0.00000
0.00182
0.03616
24
0.00000
-0.06593
0.03618
25
0.00000
-0.00484
-0.02635
26
0.00000
0.00484
-0.02635
27
0.00000
0.00139
-0.03919
28
0.00000
-0.00139
-0.03919
29
0.00000
0.07823
0.03906
30
0.00000
-0.04670
0.08716
31
0.00000
0.04670
0.08716
32
0.00000
-0.07823
0.03906
33
0.00000
0.07970
0.04180
34
0.00000
0.04933
0.06656
35
0.00000
-0.04933
0.06656
36
0.00000
-0.07970
0.04180
37
0.00000
0.00767
-0.03726
38
0.00000
0.00292
-0.03957
39
0.00000
-0.00292
-0.03957
40
0.00000
-0.00767
-0.03726
41
0.00000
-0.00294
-0.01844
42
0.00000
0.00294
-0.01844