Charge: 0
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H
Electronic States
Energy
(eV)
-1074.10796
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.82100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00013
0.00000
0.00000
2
0.00013
0.00000
0.00000
3
-0.00046
-0.00018
0.00000
4
-0.00046
0.00018
0.00000
5
-0.00046
0.00018
0.00000
6
-0.00046
-0.00018
0.00000
7
0.00060
-0.00066
0.00000
8
0.00060
0.00066
0.00000
9
0.00060
0.00066
0.00000
10
0.00060
-0.00066
0.00000
11
-0.00027
0.00092
0.00000
12
-0.00027
-0.00092
0.00000
13
-0.00027
-0.00092
0.00000
14
-0.00027
0.00092
0.00000
15
0.00577
0.00000
0.00000
16
0.00577
0.00000
0.00000
17
0.02708
0.00146
0.00000
18
0.02708
-0.00146
0.00000
19
0.02709
-0.00146
0.00000
20
0.02709
0.00146
0.00000
21
0.00939
-0.02007
0.00000
22
0.00939
0.02008
0.00000
23
0.00939
0.02008
0.00000
24
0.00939
-0.02008
0.00000
25
0.00954
0.02053
0.00000
26
0.00954
-0.02053
0.00000
27
0.00955
-0.02054
0.00000
28
0.00955
0.02054
0.00000
29
-0.06661
0.00000
0.00000
30
-0.06661
0.00000
0.00000
31
-0.30358
-0.00539
0.00000
32
-0.30360
0.00539
0.00000
33
-0.30364
0.00539
0.00000
34
-0.30364
-0.00539
0.00000
35
-0.12139
0.21769
0.00000
36
-0.12139
-0.21770
0.00000
37
-0.12141
-0.21774
0.00000
38
-0.12141
0.21773
0.00000
39
-0.12318
-0.23530
0.00000
40
-0.12319
0.23531
0.00000
41
-0.12321
0.23534
0.00000
42
-0.12321
-0.23534
0.00000