Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
1.21300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05140
-0.01177
2
0.00000
0.05140
-0.01177
3
0.00000
0.01181
-0.02820
4
0.00000
0.06993
0.03724
5
0.00000
-0.06993
0.03724
6
0.00000
-0.01181
-0.02820
7
0.00000
-0.01614
0.04782
8
0.00000
-0.00212
-0.05293
9
0.00000
0.00212
-0.05293
10
0.00000
0.01614
0.04782
11
0.00000
-0.00232
-0.01381
12
0.00000
-0.00022
0.01370
13
0.00000
0.00022
0.01370
14
0.00000
0.00232
-0.01381
15
0.00000
0.12146
0.00441
16
0.00000
-0.12146
0.00441
17
0.00000
-0.01989
0.01123
18
0.00000
0.02766
-0.01455
19
0.00000
-0.02766
-0.01455
20
0.00000
0.01989
0.01123
21
0.00000
-0.01540
-0.02893
22
0.00000
0.00521
0.02467
23
0.00000
-0.00521
0.02467
24
0.00000
0.01540
-0.02893
25
0.00000
0.00380
0.00962
26
0.00000
-0.00380
0.00962
27
0.00000
-0.01857
-0.00688
28
0.00000
0.01857
-0.00688
29
0.00000
-0.02027
0.17130
30
0.00000
0.02889
-0.14100
31
0.00000
-0.02889
-0.14100
32
0.00000
0.02027
0.17130
33
0.00000
0.14003
0.06645
34
0.00000
-0.08838
-0.02963
35
0.00000
0.08838
-0.02963
36
0.00000
-0.14003
0.06645
37
0.00000
0.02475
0.01930
38
0.00000
0.04399
0.04267
39
0.00000
-0.04399
0.04267
40
0.00000
-0.02475
0.01930
41
0.00000
0.00335
-0.02925
42
0.00000
-0.00335
-0.02925