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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.14300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00065
-0.00007
2
0.00000
0.00065
0.00007
3
0.00000
-0.00002
0.00013
4
0.00000
-0.00010
0.00006
5
0.00000
-0.00010
-0.00006
6
0.00000
-0.00002
-0.00013
7
0.00000
0.00003
0.00008
8
0.00000
-0.00052
-0.00004
9
0.00000
-0.00053
0.00004
10
0.00000
0.00003
-0.00008
11
0.00000
0.00007
-0.00003
12
0.00000
-0.00338
0.00595
13
0.00000
-0.00338
-0.00596
14
0.00000
0.00007
0.00003
15
0.00000
0.00089
-0.00017
16
0.00000
0.00088
0.00017
17
0.00000
-0.04136
-0.00035
18
0.00000
-0.03598
0.00073
19
0.00000
-0.03614
-0.00073
20
0.00000
-0.04118
0.00035
21
0.00000
0.00453
-0.00397
22
0.00000
0.01097
-0.01618
23
0.00000
0.01101
0.01626
24
0.00000
0.00451
0.00395
25
0.00000
-0.00242
0.00000
26
0.00000
-0.00241
0.00000
27
0.00000
0.00057
-0.00082
28
0.00000
0.00057
0.00081
29
0.00000
0.46987
-0.00013
30
0.00000
0.41203
-0.00404
31
0.00000
0.41390
0.00406
32
0.00000
0.46774
0.00013
33
0.00000
-0.04043
0.06136
34
0.00000
-0.11638
0.19480
35
0.00000
-0.11690
-0.19567
36
0.00000
-0.04025
-0.06109
37
0.00000
-0.00621
0.01033
38
0.00000
0.04093
-0.06849
39
0.00000
0.04097
0.06854
40
0.00000
-0.00620
-0.01031
41
0.00000
0.02712
-0.00077
42
0.00000
0.02702
0.00077