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)
0.75300
Eigenvectors
#
X
Y
Z
1
0.00000
0.01166
-0.01679
2
0.00000
-0.01166
-0.01679
3
0.00000
0.00756
-0.02146
4
0.00000
-0.00786
0.00738
5
0.00000
0.00786
0.00738
6
0.00000
-0.00756
-0.02146
7
0.00000
0.03918
0.02665
8
0.00000
-0.01043
0.03357
9
0.00000
0.01043
0.03357
10
0.00000
-0.03918
0.02665
11
0.00000
0.04214
0.02462
12
0.00000
0.01110
-0.01996
13
0.00000
-0.01110
-0.01996
14
0.00000
-0.04214
0.02462
15
0.00000
0.01997
-0.00020
16
0.00000
-0.01997
-0.00020
17
0.00000
-0.03376
0.00445
18
0.00000
0.00766
0.00598
19
0.00000
-0.00766
0.00598
20
0.00000
0.03376
0.00445
21
0.00000
-0.01031
0.00877
22
0.00000
0.01409
-0.02016
23
0.00000
-0.01409
-0.02016
24
0.00000
0.01031
0.00877
25
0.00000
-0.02918
-0.04754
26
0.00000
0.02918
-0.04754
27
0.00000
-0.08343
0.04264
28
0.00000
0.08343
0.04264
29
0.00000
-0.03473
-0.03603
30
0.00000
0.00829
0.12920
31
0.00000
-0.00829
0.12920
32
0.00000
0.03473
-0.03603
33
0.00000
-0.05789
-0.01951
34
0.00000
-0.07254
-0.07040
35
0.00000
0.07254
-0.07040
36
0.00000
0.05789
-0.01951
37
0.00000
-0.29252
-0.07644
38
0.00000
0.12697
0.04559
39
0.00000
-0.12697
0.04559
40
0.00000
0.29252
-0.07644
41
0.00000
-0.03153
-0.30511
42
0.00000
0.03153
-0.30511