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)
-0.36500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02149
-0.02387
2
0.00000
0.02149
-0.02387
3
0.00000
-0.01003
0.01375
4
0.00000
0.00289
0.00214
5
0.00000
-0.00289
0.00214
6
0.00000
0.01003
0.01375
7
0.00000
-0.01489
0.01849
8
0.00000
-0.00583
0.00256
9
0.00000
0.00583
0.00256
10
0.00000
0.01489
0.01849
11
0.00000
-0.04180
-0.00590
12
0.00000
-0.00507
0.00032
13
0.00000
0.00507
0.00032
14
0.00000
0.04180
-0.00590
15
0.00000
-0.00318
-0.03469
16
0.00000
0.00318
-0.03469
17
0.00000
-0.00466
-0.00601
18
0.00000
-0.01255
0.01036
19
0.00000
0.01255
0.01036
20
0.00000
0.00466
-0.00601
21
0.00000
0.01018
0.00127
22
0.00000
-0.00284
0.00175
23
0.00000
0.00284
0.00175
24
0.00000
-0.01018
0.00127
25
0.00000
0.00572
0.01744
26
0.00000
-0.00572
0.01744
27
0.00000
-0.01803
-0.02665
28
0.00000
0.01803
-0.02665
29
0.00000
-0.00670
0.03110
30
0.00000
-0.01376
0.13674
31
0.00000
0.01376
0.13674
32
0.00000
0.00670
0.03110
33
0.00000
0.10377
0.06054
34
0.00000
0.01127
0.00985
35
0.00000
-0.01127
0.00985
36
0.00000
-0.10377
0.06054
37
0.00000
-0.41738
-0.26110
38
0.00000
-0.01275
-0.00342
39
0.00000
0.01275
-0.00342
40
0.00000
0.41738
-0.26110
41
0.00000
0.00772
0.37194
42
0.00000
-0.00772
0.37194