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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.03200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03145
-0.02549
2
0.00000
-0.03145
0.02549
3
0.00000
0.03366
-0.01305
4
0.00000
-0.02721
0.04927
5
0.00000
-0.02721
-0.04927
6
0.00000
0.03366
0.01305
7
0.00000
-0.04325
0.05553
8
0.00000
0.06739
-0.08173
9
0.00000
0.06739
0.08173
10
0.00000
-0.04325
-0.05553
11
0.00000
0.00892
-0.02921
12
0.00000
-0.00765
0.02959
13
0.00000
-0.00765
-0.02959
14
0.00000
0.00892
0.02921
15
0.00000
0.02995
0.04009
16
0.00000
0.02995
-0.04009
17
0.00000
-0.00658
-0.01929
18
0.00000
0.01228
0.05213
19
0.00000
0.01228
-0.05213
20
0.00000
-0.00658
0.01929
21
0.00000
0.01799
-0.00776
22
0.00000
-0.05363
-0.01565
23
0.00000
-0.05363
0.01565
24
0.00000
0.01799
0.00776
25
0.00000
0.00272
-0.02826
26
0.00000
0.00272
0.02826
27
0.00000
-0.01933
-0.00021
28
0.00000
-0.01933
0.00021
29
0.00000
-0.00661
0.08796
30
0.00000
0.01243
-0.03395
31
0.00000
0.01243
0.03395
32
0.00000
-0.00661
-0.08796
33
0.00000
0.05460
0.01646
34
0.00000
-0.05322
-0.01666
35
0.00000
-0.05322
0.01666
36
0.00000
0.05460
-0.01646
37
0.00000
0.11543
0.08008
38
0.00000
0.06592
0.07275
39
0.00000
0.06592
-0.07275
40
0.00000
0.11543
-0.08008
41
0.00000
0.00403
0.19750
42
0.00000
0.00403
-0.19750