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)
-0.20200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05275
-0.00697
2
0.00000
0.05275
0.00697
3
0.00000
0.03770
0.00002
4
0.00000
0.03022
-0.00136
5
0.00000
0.03022
0.00136
6
0.00000
0.03770
-0.00002
7
0.00000
-0.00650
-0.01765
8
0.00000
-0.03059
-0.02699
9
0.00000
-0.03059
0.02699
10
0.00000
-0.00650
0.01765
11
0.00000
-0.05335
0.01199
12
0.00000
-0.08875
-0.01310
13
0.00000
-0.08875
0.01310
14
0.00000
-0.05335
-0.01199
15
0.00000
0.05657
-0.03727
16
0.00000
0.05657
0.03727
17
0.00000
0.03162
-0.07408
18
0.00000
-0.00089
0.00046
19
0.00000
-0.00089
-0.00046
20
0.00000
0.03162
0.07408
21
0.00000
-0.00060
-0.06255
22
0.00000
-0.02936
-0.00383
23
0.00000
-0.02936
0.00383
24
0.00000
-0.00060
0.06255
25
0.00000
-0.02114
0.04003
26
0.00000
-0.02114
-0.04003
27
0.00000
0.02915
0.02151
28
0.00000
0.02915
-0.02151
29
0.00000
0.03144
-0.10820
30
0.00000
-0.00062
-0.06072
31
0.00000
-0.00062
0.06072
32
0.00000
0.03144
0.10820
33
0.00000
-0.01778
-0.07198
34
0.00000
-0.01572
0.00406
35
0.00000
-0.01572
-0.00406
36
0.00000
-0.01778
0.07198
37
0.00000
0.06524
0.04308
38
0.00000
-0.12138
-0.03068
39
0.00000
-0.12138
0.03068
40
0.00000
0.06524
-0.04308
41
0.00000
-0.02264
0.07559
42
0.00000
-0.02264
-0.07559