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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
0.09800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02078
0.02040
2
0.00000
0.02078
0.02040
3
0.00000
-0.01414
0.04350
4
0.00000
0.01202
-0.01873
5
0.00000
-0.01202
-0.01872
6
0.00000
0.01414
0.04350
7
0.00000
-0.05001
-0.02780
8
0.00000
0.01293
-0.04251
9
0.00000
-0.01293
-0.04251
10
0.00000
0.05001
-0.02780
11
0.00000
-0.05213
-0.04363
12
0.00000
-0.01235
0.02723
13
0.00000
0.01235
0.02723
14
0.00000
0.05213
-0.04363
15
0.00000
-0.03098
-0.00005
16
0.00000
0.03098
-0.00005
17
0.00000
0.05292
0.00801
18
0.00000
-0.01290
-0.00401
19
0.00000
0.01290
-0.00401
20
0.00000
-0.05292
0.00801
21
0.00000
0.01627
-0.02942
22
0.00000
-0.01826
0.02504
23
0.00000
0.01826
0.02504
24
0.00000
-0.01628
-0.02942
25
0.00000
0.01547
0.04247
26
0.00000
-0.01547
0.04247
27
0.00000
0.06067
-0.02848
28
0.00000
-0.06067
-0.02848
29
0.00000
0.05769
0.11519
30
0.00000
-0.01501
-0.12697
31
0.00000
0.01501
-0.12695
32
0.00000
-0.05769
0.11519
33
0.00000
0.04173
-0.01703
34
0.00000
0.06584
0.07732
35
0.00000
-0.06585
0.07732
36
0.00000
-0.04174
-0.01703
37
0.00000
0.17844
0.03419
38
0.00000
-0.12354
-0.03502
39
0.00000
0.12353
-0.03502
40
0.00000
-0.17845
0.03420
41
0.00000
0.01878
0.28548
42
0.00000
-0.01878
0.28547