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)
0.95900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00718
0.00000
0.00000
2
0.00718
0.00000
0.00000
3
-0.00206
0.03669
0.00000
4
-0.00206
-0.03669
0.00000
5
-0.00206
-0.03669
0.00000
6
-0.00206
0.03669
0.00000
7
0.01588
-0.06157
0.00000
8
0.01588
0.06157
0.00000
9
0.01588
0.06157
0.00000
10
0.01588
-0.06157
0.00000
11
-0.00151
-0.04396
0.00000
12
-0.00151
0.04396
0.00000
13
-0.00151
0.04396
0.00000
14
-0.00151
-0.04396
0.00000
15
0.00849
0.00000
0.00000
16
0.00849
0.00000
0.00000
17
0.01499
0.07342
0.00000
18
0.01499
-0.07342
0.00000
19
0.01499
-0.07342
0.00000
20
0.01499
0.07342
0.00000
21
-0.02671
-0.05246
0.00000
22
-0.02671
0.05246
0.00000
23
-0.02671
0.05246
0.00000
24
-0.02671
-0.05246
0.00000
25
-0.02450
0.04290
0.00000
26
-0.02451
-0.04290
0.00000
27
-0.02450
-0.04290
0.00000
28
-0.02451
0.04290
0.00000
29
0.01157
0.00000
0.00000
30
0.01157
0.00000
0.00000
31
0.02204
-0.09390
0.00000
32
0.02204
0.09390
0.00000
33
0.02204
0.09390
0.00000
34
0.02204
-0.09390
0.00000
35
0.08116
0.00255
0.00000
36
0.08116
-0.00255
0.00000
37
0.08116
-0.00255
0.00000
38
0.08116
0.00255
0.00000
39
0.08258
-0.00990
0.00000
40
0.08258
0.00990
0.00000
41
0.08258
0.00990
0.00000
42
0.08258
-0.00990
0.00000