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)
0.00000
Diff mu Y
(Debye)
0.20700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04167
0.00000
2
0.00000
0.04167
0.00000
3
0.00169
-0.02377
0.00000
4
-0.00169
-0.02377
0.00000
5
-0.00169
-0.02377
0.00000
6
0.00169
-0.02377
0.00000
7
-0.00809
0.01239
0.00000
8
0.00809
0.01239
0.00000
9
0.00809
0.01239
0.00000
10
-0.00809
0.01239
0.00000
11
0.01283
-0.06434
0.00000
12
-0.01283
-0.06434
0.00000
13
-0.01283
-0.06434
0.00000
14
0.01283
-0.06434
0.00000
15
0.00000
0.01854
0.00000
16
0.00000
0.01854
0.00000
17
-0.01315
0.02929
0.00000
18
0.01315
0.02929
0.00000
19
0.01315
0.02929
0.00000
20
-0.01315
0.02929
0.00000
21
-0.01920
-0.00807
0.00000
22
0.01920
-0.00807
0.00000
23
0.01920
-0.00807
0.00000
24
-0.01920
-0.00807
0.00000
25
0.01278
-0.00754
0.00000
26
-0.01278
-0.00754
0.00000
27
-0.01278
-0.00754
0.00000
28
0.01278
-0.00754
0.00000
29
0.00000
0.37781
0.00000
30
0.00000
0.37781
0.00000
31
-0.02007
0.26484
0.00000
32
0.02007
0.26486
0.00000
33
0.02007
0.26484
0.00000
34
-0.02007
0.26485
0.00000
35
-0.08836
-0.04648
0.00000
36
0.08837
-0.04649
0.00000
37
0.08836
-0.04648
0.00000
38
-0.08837
-0.04649
0.00000
39
0.04879
-0.02698
0.00000
40
-0.04879
-0.02698
0.00000
41
-0.04879
-0.02698
0.00000
42
0.04880
-0.02698
0.00000