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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-1.44300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00019
0.00008
2
0.00000
-0.00019
0.00008
3
0.00000
-0.00004
0.00005
4
0.00000
-0.00023
0.00041
5
0.00000
0.00023
0.00041
6
0.00000
0.00004
0.00005
7
0.00000
-0.00002
-0.00003
8
0.00000
-0.00008
0.00064
9
0.00000
0.00008
0.00064
10
0.00000
0.00002
-0.00003
11
0.00000
-0.00001
-0.00006
12
0.00000
0.02089
-0.03193
13
0.00000
-0.02089
-0.03193
14
0.00000
0.00001
-0.00006
15
0.00000
0.00026
0.00123
16
0.00000
-0.00026
0.00123
17
0.00000
-0.00302
-0.00002
18
0.00000
0.03078
0.00196
19
0.00000
-0.03078
0.00196
20
0.00000
0.00302
-0.00002
21
0.00000
0.00165
-0.00256
22
0.00000
0.01527
-0.03071
23
0.00000
-0.01527
-0.03071
24
0.00000
-0.00165
-0.00256
25
0.00000
-0.00320
0.00027
26
0.00000
0.00320
0.00027
27
0.00000
0.00304
-0.00483
28
0.00000
-0.00304
-0.00483
29
0.00000
0.03557
-0.00106
30
0.00000
-0.34299
-0.00302
31
0.00000
0.34298
-0.00302
32
0.00000
-0.03560
-0.00106
33
0.00000
-0.01812
0.02919
34
0.00000
-0.18781
0.33233
35
0.00000
0.18781
0.33232
36
0.00000
0.01812
0.02919
37
0.00000
-0.03282
0.05569
38
0.00000
-0.21474
0.36757
39
0.00000
0.21474
0.36757
40
0.00000
0.03279
0.05565
41
0.00000
0.03850
-0.00066
42
0.00000
-0.03848
-0.00066