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)
-0.85200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00693
-0.00374
2
0.00000
0.00693
0.00374
3
0.00000
-0.01386
-0.01758
4
0.00000
0.01607
0.00432
5
0.00000
0.01607
-0.00432
6
0.00000
-0.01386
0.01758
7
0.00000
0.05612
0.02805
8
0.00000
-0.06996
-0.02289
9
0.00000
-0.06996
0.02289
10
0.00000
0.05612
-0.02805
11
0.00000
-0.01286
-0.01245
12
0.00000
0.03170
0.03098
13
0.00000
0.03170
-0.03098
14
0.00000
-0.01286
0.01245
15
0.00000
-0.01110
0.07445
16
0.00000
-0.01110
-0.07445
17
0.00000
0.02987
-0.03251
18
0.00000
-0.01029
0.06376
19
0.00000
-0.01029
-0.06376
20
0.00000
0.02987
0.03251
21
0.00000
-0.07094
-0.02493
22
0.00000
0.04677
-0.00435
23
0.00000
0.04677
0.00435
24
0.00000
-0.07094
0.02493
25
0.00000
-0.00194
0.00144
26
0.00000
-0.00194
-0.00144
27
0.00000
0.00625
0.00755
28
0.00000
0.00625
-0.00755
29
0.00000
0.03522
0.10742
30
0.00000
-0.01317
-0.15184
31
0.00000
-0.01317
0.15184
32
0.00000
0.03522
-0.10742
33
0.00000
0.16690
0.12003
34
0.00000
-0.07820
-0.08194
35
0.00000
-0.07820
0.08194
36
0.00000
0.16690
-0.12003
37
0.00000
-0.02483
-0.01064
38
0.00000
-0.11814
-0.05146
39
0.00000
-0.11814
0.05146
40
0.00000
-0.02483
0.01064
41
0.00000
-0.00066
-0.06276
42
0.00000
-0.00066
0.06276