Charge: 2
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+2
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)
-0.11200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02622
0.02154
2
0.00000
0.02621
-0.02155
3
0.00000
-0.00911
-0.03274
4
0.00000
-0.00705
0.00005
5
0.00000
-0.00705
-0.00005
6
0.00000
-0.00911
0.03274
7
0.00000
0.01473
0.01200
8
0.00000
0.01953
0.01315
9
0.00000
0.01953
-0.01316
10
0.00000
0.01473
-0.01200
11
0.00000
-0.00830
0.05891
12
0.00000
-0.00620
-0.00849
13
0.00000
-0.00620
0.00849
14
0.00000
-0.00830
-0.05891
15
0.00000
-0.02134
-0.02048
16
0.00000
-0.02133
0.02048
17
0.00000
0.01933
0.05360
18
0.00000
0.01633
0.01924
19
0.00000
0.01633
-0.01925
20
0.00000
0.01933
-0.05359
21
0.00000
-0.03711
-0.03989
22
0.00000
-0.02844
-0.02435
23
0.00000
-0.02845
0.02435
24
0.00000
-0.03710
0.03988
25
0.00000
-0.01859
-0.11360
26
0.00000
-0.01859
0.11360
27
0.00000
0.03927
0.08114
28
0.00000
0.03927
-0.08114
29
0.00000
0.02253
-0.06562
30
0.00000
0.01934
-0.02018
31
0.00000
0.01934
0.02019
32
0.00000
0.02252
0.06561
33
0.00000
0.04773
0.00914
34
0.00000
0.04710
0.01577
35
0.00000
0.04711
-0.01577
36
0.00000
0.04772
-0.00914
37
0.00000
-0.12835
-0.00797
38
0.00000
0.02010
0.00600
39
0.00000
0.02010
-0.00600
40
0.00000
-0.12835
0.00796
41
0.00000
-0.01963
0.15070
42
0.00000
-0.01962
-0.15070