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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.01100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02106
-0.03161
2
0.00000
-0.02106
0.03161
3
0.00000
0.01253
-0.02730
4
0.00000
-0.04272
0.02812
5
0.00000
-0.04272
-0.02812
6
0.00000
0.01253
0.02730
7
0.00000
0.04366
-0.02839
8
0.00000
-0.04103
0.04397
9
0.00000
-0.04103
-0.04397
10
0.00000
0.04366
0.02839
11
0.00000
0.06467
-0.02760
12
0.00000
-0.01398
0.02683
13
0.00000
-0.01398
-0.02683
14
0.00000
0.06467
0.02760
15
0.00000
-0.02232
-0.04859
16
0.00000
-0.02232
0.04859
17
0.00000
0.01549
-0.02847
18
0.00000
-0.03741
0.05264
19
0.00000
-0.03741
-0.05264
20
0.00000
0.01549
0.02847
21
0.00000
0.04206
-0.03846
22
0.00000
-0.04495
0.06078
23
0.00000
-0.04495
-0.06077
24
0.00000
0.04206
0.03846
25
0.00000
0.04248
-0.05043
26
0.00000
0.04248
0.05042
27
0.00000
0.00246
-0.02944
28
0.00000
0.00246
0.02943
29
0.00000
0.01503
0.01017
30
0.00000
-0.03766
0.04082
31
0.00000
-0.03767
-0.04082
32
0.00000
0.01503
-0.01016
33
0.00000
0.04075
-0.03940
34
0.00000
-0.04240
0.06253
35
0.00000
-0.04240
-0.06252
36
0.00000
0.04075
0.03941
37
0.00000
-0.03625
-0.05209
38
0.00000
0.01956
0.04644
39
0.00000
0.01956
-0.04643
40
0.00000
-0.03625
0.05208
41
0.00000
0.04256
-0.07852
42
0.00000
0.04256
0.07851