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
0.01479
0.00000
0.00000
2
-0.01479
0.00000
0.00000
3
0.01246
0.00000
0.00000
4
-0.01245
0.00000
0.00000
5
0.01246
0.00000
0.00000
6
-0.01246
0.00000
0.00000
7
0.03829
-0.05916
0.00000
8
-0.03829
-0.05916
0.00000
9
0.03828
0.05916
0.00000
10
-0.03828
0.05916
0.00000
11
-0.01769
0.07340
0.00000
12
0.01769
0.07341
0.00000
13
-0.01769
-0.07341
0.00000
14
0.01769
-0.07341
0.00000
15
-0.02093
0.00000
0.00000
16
0.02093
0.00000
0.00000
17
0.01527
0.00221
0.00000
18
-0.01528
0.00221
0.00000
19
0.01527
-0.00221
0.00000
20
-0.01527
-0.00221
0.00000
21
0.01414
-0.00318
0.00000
22
-0.01414
-0.00318
0.00000
23
0.01414
0.00318
0.00000
24
-0.01414
0.00318
0.00000
25
-0.01209
0.02612
0.00000
26
0.01209
0.02612
0.00000
27
-0.01209
-0.02612
0.00000
28
0.01209
-0.02612
0.00000
29
-0.02817
0.00000
0.00000
30
0.02817
0.00000
0.00000
31
0.02134
-0.17040
0.00000
32
-0.02134
-0.17040
0.00000
33
0.02134
0.17039
0.00000
34
-0.02134
0.17040
0.00000
35
-0.06289
-0.04804
0.00000
36
0.06289
-0.04804
0.00000
37
-0.06289
0.04804
0.00000
38
0.06289
0.04804
0.00000
39
-0.21348
0.13552
0.00000
40
0.21348
0.13552
0.00000
41
-0.21347
-0.13552
0.00000
42
0.21347
-0.13552
0.00000