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)
-2.10600
Eigenvectors
#
X
Y
Z
1
0.00000
0.01154
0.01503
2
0.00000
-0.01154
0.01503
3
0.00000
0.02447
-0.02254
4
0.00000
0.01179
0.00055
5
0.00000
-0.01179
0.00055
6
0.00000
-0.02447
-0.02254
7
0.00000
-0.02768
0.02918
8
0.00000
-0.01497
-0.00746
9
0.00000
0.01497
-0.00746
10
0.00000
0.02768
0.02918
11
0.00000
0.08362
-0.02332
12
0.00000
0.00849
0.00299
13
0.00000
-0.00849
0.00299
14
0.00000
-0.08362
-0.02332
15
0.00000
-0.01662
-0.03508
16
0.00000
0.01662
-0.03508
17
0.00000
0.01924
0.06231
18
0.00000
-0.01318
0.00268
19
0.00000
0.01318
0.00268
20
0.00000
-0.01924
0.06231
21
0.00000
-0.02690
-0.04701
22
0.00000
0.01965
0.01265
23
0.00000
-0.01965
0.01265
24
0.00000
0.02690
-0.04701
25
0.00000
-0.04988
0.01012
26
0.00000
0.04988
0.01012
27
0.00000
0.11402
0.02456
28
0.00000
-0.11402
0.02456
29
0.00000
0.02042
-0.09286
30
0.00000
-0.01316
-0.01245
31
0.00000
0.01316
-0.01245
32
0.00000
-0.02042
-0.09286
33
0.00000
0.09798
0.02303
34
0.00000
-0.04492
-0.02446
35
0.00000
0.04492
-0.02446
36
0.00000
-0.09798
0.02303
37
0.00000
-0.12441
-0.12116
38
0.00000
-0.00834
-0.00704
39
0.00000
0.00834
-0.00704
40
0.00000
0.12441
-0.12116
41
0.00000
-0.05407
-0.05848
42
0.00000
0.05407
-0.05848