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)
1.16700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02229
0.03092
2
0.00000
0.02229
0.03092
3
0.00000
0.03836
-0.01039
4
0.00000
-0.04328
-0.02936
5
0.00000
0.04328
-0.02936
6
0.00000
-0.03836
-0.01039
7
0.00000
0.02935
0.02026
8
0.00000
-0.01714
0.01524
9
0.00000
0.01714
0.01524
10
0.00000
-0.02935
0.02026
11
0.00000
-0.06104
-0.01966
12
0.00000
-0.02796
-0.00388
13
0.00000
0.02796
-0.00388
14
0.00000
0.06104
-0.01966
15
0.00000
-0.02004
-0.04333
16
0.00000
0.02004
-0.04333
17
0.00000
0.01994
-0.00735
18
0.00000
-0.01245
0.07918
19
0.00000
0.01245
0.07918
20
0.00000
-0.01994
-0.00735
21
0.00000
-0.04898
-0.00967
22
0.00000
0.02504
-0.02600
23
0.00000
-0.02504
-0.02600
24
0.00000
0.04898
-0.00967
25
0.00000
0.02007
0.05997
26
0.00000
-0.02007
0.05997
27
0.00000
-0.01750
-0.02879
28
0.00000
0.01750
-0.02879
29
0.00000
0.01773
0.03986
30
0.00000
-0.01073
-0.18505
31
0.00000
0.01073
-0.18505
32
0.00000
-0.01773
0.03986
33
0.00000
0.15962
0.11699
34
0.00000
-0.05219
-0.07460
35
0.00000
0.05219
-0.07460
36
0.00000
-0.15962
0.11699
37
0.00000
-0.00831
-0.02686
38
0.00000
0.01174
0.02258
39
0.00000
-0.01174
0.02258
40
0.00000
0.00831
-0.02686
41
0.00000
0.01965
-0.21610
42
0.00000
-0.01965
-0.21610