Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
0.01300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01912
-0.01700
2
0.00000
0.01911
-0.01700
3
0.00000
-0.00449
0.00546
4
0.00000
0.01019
0.00695
5
0.00000
-0.01019
0.00695
6
0.00000
0.00449
0.00546
7
0.00000
0.00845
0.01168
8
0.00000
-0.01040
-0.00217
9
0.00000
0.01040
-0.00217
10
0.00000
-0.00845
0.01168
11
0.00000
-0.00477
-0.01229
12
0.00000
-0.05334
-0.00025
13
0.00000
0.05334
-0.00025
14
0.00000
0.00477
-0.01229
15
0.00000
0.00791
-0.00984
16
0.00000
-0.00791
-0.00983
17
0.00000
0.00167
0.01929
18
0.00000
0.02015
0.04002
19
0.00000
-0.02015
0.04002
20
0.00000
-0.00167
0.01929
21
0.00000
-0.01053
-0.02302
22
0.00000
-0.02009
-0.03460
23
0.00000
0.02009
-0.03460
24
0.00000
0.01053
-0.02302
25
0.00000
0.00303
0.00737
26
0.00000
-0.00302
0.00737
27
0.00000
0.00329
-0.00222
28
0.00000
-0.00329
-0.00222
29
0.00000
0.00117
0.12707
30
0.00000
0.02046
0.36690
31
0.00000
-0.02045
0.36690
32
0.00000
-0.00117
0.12708
33
0.00000
-0.07686
-0.06335
34
0.00000
-0.25659
-0.17019
35
0.00000
0.25658
-0.17018
36
0.00000
0.07686
-0.06335
37
0.00000
0.02742
0.01131
38
0.00000
-0.32688
-0.15651
39
0.00000
0.32688
-0.15651
40
0.00000
-0.02743
0.01132
41
0.00000
0.00239
0.01122
42
0.00000
-0.00239
0.01121