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)
0.81000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03328
0.03863
2
0.00000
0.03328
-0.03863
3
0.00000
-0.02841
-0.00299
4
0.00000
-0.00932
-0.00850
5
0.00000
-0.00932
0.00850
6
0.00000
-0.02841
0.00299
7
0.00000
-0.01219
-0.04211
8
0.00000
0.03780
0.04190
9
0.00000
0.03780
-0.04190
10
0.00000
-0.01219
0.04211
11
0.00000
0.07157
-0.02702
12
0.00000
0.00112
0.00204
13
0.00000
0.00112
-0.00204
14
0.00000
0.07157
0.02702
15
0.00000
0.02245
0.01774
16
0.00000
0.02245
-0.01774
17
0.00000
0.01490
0.00569
18
0.00000
-0.03421
-0.00013
19
0.00000
-0.03421
0.00013
20
0.00000
0.01490
-0.00569
21
0.00000
-0.02548
-0.02467
22
0.00000
0.00341
0.01261
23
0.00000
0.00341
-0.01261
24
0.00000
-0.02548
0.02467
25
0.00000
-0.02723
0.04241
26
0.00000
-0.02723
-0.04241
27
0.00000
-0.00896
-0.01189
28
0.00000
-0.00896
0.01189
29
0.00000
0.01685
0.21820
30
0.00000
-0.03685
0.05483
31
0.00000
-0.03685
-0.05483
32
0.00000
0.01685
-0.21820
33
0.00000
-0.05759
-0.04436
34
0.00000
-0.09712
-0.04013
35
0.00000
-0.09712
0.04013
36
0.00000
-0.05759
0.04436
37
0.00000
-0.09655
-0.06284
38
0.00000
-0.16363
-0.09692
39
0.00000
-0.16363
0.09692
40
0.00000
-0.09655
0.06284
41
0.00000
-0.02645
0.35731
42
0.00000
-0.02645
-0.35731