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)
1.09000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06608
0.01032
2
0.00000
-0.06608
-0.01032
3
0.00000
-0.08060
0.00297
4
0.00000
-0.08063
-0.01284
5
0.00000
-0.08063
0.01284
6
0.00000
-0.08060
-0.00297
7
0.00000
0.00685
0.00915
8
0.00000
0.01164
0.00179
9
0.00000
0.01164
-0.00179
10
0.00000
0.00685
-0.00915
11
0.00000
-0.01488
-0.00256
12
0.00000
-0.01410
0.01111
13
0.00000
-0.01410
-0.01111
14
0.00000
-0.01488
0.00256
15
0.00000
0.00650
-0.00033
16
0.00000
0.00650
0.00033
17
0.00000
0.06147
-0.03505
18
0.00000
0.05711
-0.02868
19
0.00000
0.05711
0.02868
20
0.00000
0.06147
0.03505
21
0.00000
0.05090
-0.05119
22
0.00000
0.05200
-0.05148
23
0.00000
0.05200
0.05148
24
0.00000
0.05090
0.05119
25
0.00000
-0.02009
-0.00989
26
0.00000
-0.02009
0.00989
27
0.00000
0.02234
-0.02582
28
0.00000
0.02234
0.02582
29
0.00000
0.06062
-0.00071
30
0.00000
0.05593
0.00198
31
0.00000
0.05593
-0.00198
32
0.00000
0.06062
0.00071
33
0.00000
0.00643
-0.08044
34
0.00000
0.00554
-0.07746
35
0.00000
0.00554
0.07746
36
0.00000
0.00643
0.08044
37
0.00000
0.01421
-0.02875
38
0.00000
-0.03108
0.00583
39
0.00000
-0.03108
-0.00583
40
0.00000
0.01421
0.02875
41
0.00000
-0.02150
0.00364
42
0.00000
-0.02150
-0.00364