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)
0.16600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00648
-0.00696
2
0.00000
-0.00648
-0.00696
3
0.00000
0.01626
-0.02233
4
0.00000
-0.00372
0.02951
5
0.00000
0.00372
0.02951
6
0.00000
-0.01626
-0.02233
7
0.00000
0.06347
-0.01231
8
0.00000
0.00613
0.05811
9
0.00000
-0.00613
0.05811
10
0.00000
-0.06347
-0.01231
11
0.00000
0.00978
0.01276
12
0.00000
-0.00440
0.09549
13
0.00000
0.00440
0.09549
14
0.00000
-0.00978
0.01276
15
0.00000
0.01699
-0.04266
16
0.00000
-0.01699
-0.04266
17
0.00000
0.07664
-0.03223
18
0.00000
0.01763
-0.02957
19
0.00000
-0.01763
-0.02957
20
0.00000
-0.07664
-0.03223
21
0.00000
0.09208
-0.04210
22
0.00000
0.00411
-0.00821
23
0.00000
-0.00411
-0.00821
24
0.00000
-0.09208
-0.04210
25
0.00000
-0.00796
0.00374
26
0.00000
0.00796
0.00374
27
0.00000
-0.00065
-0.00329
28
0.00000
0.00065
-0.00329
29
0.00000
0.07824
0.01045
30
0.00000
0.01608
-0.01737
31
0.00000
-0.01608
-0.01737
32
0.00000
-0.07824
0.01045
33
0.00000
0.08328
-0.04975
34
0.00000
-0.04305
-0.03352
35
0.00000
0.04305
-0.03352
36
0.00000
-0.08328
-0.04975
37
0.00000
0.00570
-0.00086
38
0.00000
-0.01870
0.08869
39
0.00000
0.01870
0.08869
40
0.00000
-0.00570
-0.00086
41
0.00000
-0.00765
0.00311
42
0.00000
0.00765
0.00311