Charge: -1
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/q-1
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)
0.00000
Diff mu Z
(Debye)
1.66100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03262
2
0.00000
0.00000
-0.03262
3
0.00000
0.00000
0.04900
4
0.00000
0.00000
0.04900
5
0.00000
0.00000
0.04900
6
0.00000
0.00000
0.04900
7
0.00000
0.00000
-0.00915
8
0.00000
0.00000
-0.00915
9
0.00000
0.00000
-0.00915
10
0.00000
0.00000
-0.00915
11
0.00000
0.00000
-0.01855
12
0.00000
0.00000
-0.01855
13
0.00000
0.00000
-0.01855
14
0.00000
0.00000
-0.01855
15
0.00000
0.00000
0.02887
16
0.00000
0.00000
0.02887
17
0.00000
0.00000
-0.02625
18
0.00000
0.00000
-0.02625
19
0.00000
0.00000
-0.02625
20
0.00000
0.00000
-0.02625
21
0.00000
0.00000
-0.03946
22
0.00000
0.00000
-0.03946
23
0.00000
0.00000
-0.03946
24
0.00000
0.00000
-0.03946
25
0.00000
0.00000
-0.00858
26
0.00000
0.00000
-0.00858
27
0.00000
0.00000
-0.00858
28
0.00000
0.00000
-0.00858
29
0.00000
0.00000
-0.10769
30
0.00000
0.00000
-0.10769
31
0.00000
0.00000
0.27421
32
0.00000
0.00000
0.27421
33
0.00000
0.00000
0.27421
34
0.00000
0.00000
0.27421
35
0.00000
0.00000
0.23582
36
0.00000
0.00000
0.23582
37
0.00000
0.00000
0.23582
38
0.00000
0.00000
0.23582
39
0.00000
0.00000
0.19712
40
0.00000
0.00000
0.19712
41
0.00000
0.00000
0.19712
42
0.00000
0.00000
0.19712