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)
0.00000
Diff mu Z
(Debye)
1.09400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00990
-0.04758
2
0.00000
-0.00990
-0.04758
3
0.00000
-0.00276
0.02425
4
0.00000
-0.00692
-0.08672
5
0.00000
0.00692
-0.08672
6
0.00000
0.00276
0.02425
7
0.00000
0.02117
0.08106
8
0.00000
-0.00137
-0.01931
9
0.00000
0.00137
-0.01931
10
0.00000
-0.02117
0.08106
11
0.00000
0.03730
0.06317
12
0.00000
-0.00996
0.05449
13
0.00000
0.00996
0.05449
14
0.00000
-0.03730
0.06317
15
0.00000
-0.02598
-0.00632
16
0.00000
0.02598
-0.00632
17
0.00000
-0.04637
-0.00915
18
0.00000
-0.00903
0.00271
19
0.00000
0.00903
0.00271
20
0.00000
0.04637
-0.00915
21
0.00000
0.01400
-0.02301
22
0.00000
-0.03844
0.03884
23
0.00000
0.03844
0.03884
24
0.00000
-0.01400
-0.02301
25
0.00000
0.05672
-0.01535
26
0.00000
-0.05672
-0.01535
27
0.00000
0.01702
-0.04375
28
0.00000
-0.01702
-0.04375
29
0.00000
-0.04639
0.03983
30
0.00000
-0.01010
-0.07464
31
0.00000
0.01010
-0.07464
32
0.00000
0.04639
0.03983
33
0.00000
-0.03919
-0.05136
34
0.00000
-0.03553
0.03920
35
0.00000
0.03553
0.03920
36
0.00000
0.03919
-0.05136
37
0.00000
0.00108
-0.05822
38
0.00000
-0.07112
0.02034
39
0.00000
0.07112
0.02034
40
0.00000
-0.00108
-0.05822
41
0.00000
0.06096
-0.07386
42
0.00000
-0.06096
-0.07386