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)
-0.07100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00236
-0.06742
2
0.00000
0.00236
0.06742
3
0.00000
0.05153
-0.02343
4
0.00000
-0.04302
0.06412
5
0.00000
-0.04302
-0.06412
6
0.00000
0.05153
0.02343
7
0.00000
0.03294
0.05673
8
0.00000
-0.00079
0.01287
9
0.00000
-0.00079
-0.01287
10
0.00000
0.03294
-0.05673
11
0.00000
0.04155
0.05488
12
0.00000
0.00527
-0.05381
13
0.00000
0.00527
0.05381
14
0.00000
0.04155
-0.05488
15
0.00000
-0.00517
-0.00605
16
0.00000
-0.00517
0.00605
17
0.00000
-0.02443
-0.01175
18
0.00000
0.00390
-0.00204
19
0.00000
0.00390
0.00204
20
0.00000
-0.02443
0.01175
21
0.00000
-0.03020
0.01777
22
0.00000
0.02280
-0.02422
23
0.00000
0.02280
0.02422
24
0.00000
-0.03020
-0.01777
25
0.00000
-0.06326
0.01117
26
0.00000
-0.06326
-0.01117
27
0.00000
0.02780
-0.05773
28
0.00000
0.02780
0.05773
29
0.00000
-0.02689
-0.06618
30
0.00000
0.00427
0.05528
31
0.00000
0.00427
-0.05528
32
0.00000
-0.02689
0.06618
33
0.00000
-0.11059
-0.02846
34
0.00000
0.02017
-0.02419
35
0.00000
0.02017
0.02419
36
0.00000
-0.11059
0.02846
37
0.00000
0.01704
-0.06256
38
0.00000
-0.09757
-0.11139
39
0.00000
-0.09757
0.11139
40
0.00000
0.01704
0.06256
41
0.00000
-0.05983
0.02958
42
0.00000
-0.05983
-0.02958