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)
0.94400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01103
-0.01964
2
0.00000
0.01103
0.01964
3
0.00000
0.01929
0.01791
4
0.00000
-0.00166
0.04167
5
0.00000
-0.00166
-0.04167
6
0.00000
0.01929
-0.01791
7
0.00000
-0.02952
0.03932
8
0.00000
-0.00027
0.02673
9
0.00000
-0.00027
-0.02673
10
0.00000
-0.02952
-0.03932
11
0.00000
-0.07523
0.02467
12
0.00000
0.00281
-0.03601
13
0.00000
0.00281
0.03601
14
0.00000
-0.07523
-0.02467
15
0.00000
-0.01944
0.00574
16
0.00000
-0.01944
-0.00574
17
0.00000
0.00832
0.00036
18
0.00000
0.00890
0.00410
19
0.00000
0.00890
-0.00410
20
0.00000
0.00832
-0.00036
21
0.00000
0.02704
-0.02109
22
0.00000
0.00383
-0.01278
23
0.00000
0.00383
0.01278
24
0.00000
0.02704
0.02109
25
0.00000
0.10248
0.01505
26
0.00000
0.10248
-0.01505
27
0.00000
-0.03148
-0.00733
28
0.00000
-0.03148
0.00733
29
0.00000
0.00914
0.11394
30
0.00000
0.00845
0.10246
31
0.00000
0.00845
-0.10246
32
0.00000
0.00914
-0.11394
33
0.00000
0.02074
-0.02076
34
0.00000
-0.08289
-0.06054
35
0.00000
-0.08289
0.06054
36
0.00000
0.02074
0.02076
37
0.00000
-0.28442
-0.15963
38
0.00000
-0.08296
-0.08392
39
0.00000
-0.08296
0.08392
40
0.00000
-0.28442
0.15963
41
0.00000
0.10127
0.07004
42
0.00000
0.10127
-0.07004