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)
-0.25700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02848
0.01875
2
0.00000
0.02848
-0.01875
3
0.00000
0.03946
0.00171
4
0.00000
0.01369
-0.00852
5
0.00000
0.01369
0.00852
6
0.00000
0.03946
-0.00171
7
0.00000
0.03382
0.00493
8
0.00000
-0.00357
-0.02924
9
0.00000
-0.00356
0.02923
10
0.00000
0.03382
-0.00493
11
0.00000
0.00688
-0.01272
12
0.00000
-0.02128
-0.01212
13
0.00000
-0.02128
0.01212
14
0.00000
0.00688
0.01272
15
0.00000
0.02666
0.03816
16
0.00000
0.02666
-0.03816
17
0.00000
0.02239
0.04947
18
0.00000
0.01409
-0.06727
19
0.00000
0.01409
0.06727
20
0.00000
0.02239
-0.04947
21
0.00000
0.02261
0.02446
22
0.00000
0.00490
-0.04917
23
0.00000
0.00490
0.04917
24
0.00000
0.02261
-0.02446
25
0.00000
-0.05571
-0.03449
26
0.00000
-0.05571
0.03449
27
0.00000
-0.11735
-0.01566
28
0.00000
-0.11735
0.01566
29
0.00000
0.02274
0.04589
30
0.00000
0.01432
-0.07869
31
0.00000
0.01432
0.07869
32
0.00000
0.02274
-0.04589
33
0.00000
0.03499
0.02962
34
0.00000
-0.01197
-0.05888
35
0.00000
-0.01197
0.05888
36
0.00000
0.03498
-0.02961
37
0.00000
-0.14549
-0.03289
38
0.00000
-0.03843
-0.02188
39
0.00000
-0.03843
0.02188
40
0.00000
-0.14549
0.03289
41
0.00000
-0.05552
-0.08528
42
0.00000
-0.05552
0.08528