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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00032
0.00000
2
0.00000
-0.00032
0.00000
3
0.05494
0.01027
0.00000
4
0.05494
-0.01027
0.00000
5
-0.05494
0.01027
0.00000
6
-0.05494
-0.01027
0.00000
7
-0.05271
0.01663
0.00000
8
-0.05271
-0.01663
0.00000
9
0.05271
0.01663
0.00000
10
0.05271
-0.01663
0.00000
11
0.04331
-0.03382
0.00000
12
0.04331
0.03382
0.00000
13
-0.04331
-0.03382
0.00000
14
-0.04331
0.03382
0.00000
15
0.00000
-0.03108
0.00000
16
0.00000
0.03108
0.00000
17
-0.04799
0.01454
0.00000
18
-0.04799
-0.01454
0.00000
19
0.04799
0.01454
0.00000
20
0.04799
-0.01454
0.00000
21
0.03667
-0.00234
0.00000
22
0.03667
0.00234
0.00000
23
-0.03667
-0.00234
0.00000
24
-0.03667
0.00234
0.00000
25
-0.01854
-0.00193
0.00000
26
-0.01854
0.00193
0.00000
27
0.01854
-0.00193
0.00000
28
0.01854
0.00193
0.00000
29
0.00000
0.07053
0.00000
30
0.00000
-0.07053
0.00000
31
-0.05168
0.06688
0.00000
32
-0.05168
-0.06688
0.00000
33
0.05169
0.06688
0.00000
34
0.05169
-0.06688
0.00000
35
0.24303
0.11503
0.00000
36
0.24303
-0.11503
0.00000
37
-0.24302
0.11503
0.00000
38
-0.24302
-0.11503
0.00000
39
-0.02664
-0.00107
0.00000
40
-0.02664
0.00107
0.00000
41
0.02663
-0.00107
0.00000
42
0.02663
0.00107
0.00000