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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.71200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00944
-0.01135
2
0.00000
0.00944
0.01135
3
0.00000
-0.03003
0.00042
4
0.00000
-0.04188
0.01249
5
0.00000
-0.04188
-0.01249
6
0.00000
-0.03003
-0.00042
7
0.00000
0.01783
0.00701
8
0.00000
0.00846
-0.01566
9
0.00000
0.00846
0.01566
10
0.00000
0.01783
-0.00701
11
0.00000
-0.00398
0.01678
12
0.00000
-0.00274
0.01845
13
0.00000
-0.00274
-0.01845
14
0.00000
-0.00398
-0.01678
15
0.00000
0.05133
-0.00570
16
0.00000
0.05133
0.00570
17
0.00000
-0.03888
0.00407
18
0.00000
-0.04086
-0.02086
19
0.00000
-0.04086
0.02086
20
0.00000
-0.03888
-0.00407
21
0.00000
0.01158
-0.00301
22
0.00000
0.02566
0.01915
23
0.00000
0.02566
-0.01915
24
0.00000
0.01158
0.00301
25
0.00000
0.02212
0.02435
26
0.00000
0.02212
-0.02435
27
0.00000
-0.01323
-0.01678
28
0.00000
-0.01323
0.01678
29
0.00000
-0.03909
-0.10702
30
0.00000
-0.04052
-0.30282
31
0.00000
-0.04052
0.30282
32
0.00000
-0.03909
0.10702
33
0.00000
0.15872
0.09025
34
0.00000
0.32822
0.19311
35
0.00000
0.32822
-0.19311
36
0.00000
0.15872
-0.09025
37
0.00000
-0.14549
-0.09597
38
0.00000
0.01376
0.02727
39
0.00000
0.01376
-0.02727
40
0.00000
-0.14549
0.09597
41
0.00000
0.02434
0.14278
42
0.00000
0.02434
-0.14278