Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
1.36200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00005
-0.00016
2
0.00000
-0.00005
-0.00016
3
0.00000
-0.00033
-0.00029
4
0.00000
-0.00021
-0.00004
5
0.00000
0.00021
-0.00004
6
0.00000
0.00033
-0.00029
7
0.00000
-0.00088
-0.00043
8
0.00000
-0.00006
0.00037
9
0.00000
0.00006
0.00037
10
0.00000
0.00088
-0.00043
11
0.00000
0.00027
0.00094
12
0.00000
0.00189
-0.00271
13
0.00000
-0.00189
-0.00271
14
0.00000
-0.00027
0.00094
15
0.00000
-0.00004
0.00058
16
0.00000
0.00004
0.00058
17
0.00000
0.00991
0.00101
18
0.00000
0.00200
-0.00009
19
0.00000
-0.00200
-0.00009
20
0.00000
-0.00991
0.00101
21
0.00000
0.02452
-0.04055
22
0.00000
0.00239
-0.00501
23
0.00000
-0.00239
-0.00501
24
0.00000
-0.02452
-0.04055
25
0.00000
0.02979
-0.00023
26
0.00000
-0.02979
-0.00023
27
0.00000
0.00390
-0.00742
28
0.00000
-0.00390
-0.00742
29
0.00000
-0.10284
-0.00036
30
0.00000
-0.02498
0.00027
31
0.00000
0.02498
0.00027
32
0.00000
0.10284
-0.00036
33
0.00000
-0.28894
0.47414
34
0.00000
-0.03458
0.06099
35
0.00000
0.03458
0.06099
36
0.00000
0.28894
0.47414
37
0.00000
-0.04283
0.07422
38
0.00000
-0.02109
0.03595
39
0.00000
0.02109
0.03595
40
0.00000
0.04283
0.07422
41
0.00000
-0.35032
-0.00178
42
0.00000
0.35032
-0.00178