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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.20800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01523
-0.00607
2
0.00000
0.01523
0.00607
3
0.00000
-0.00553
0.00791
4
0.00000
-0.01639
0.00398
5
0.00000
-0.01639
-0.00398
6
0.00000
-0.00553
-0.00791
7
0.00000
-0.00032
-0.00299
8
0.00000
0.03412
0.00464
9
0.00000
0.03412
-0.00464
10
0.00000
-0.00032
0.00299
11
0.00000
0.00185
-0.00214
12
0.00000
-0.06236
-0.07672
13
0.00000
-0.06236
0.07672
14
0.00000
0.00185
0.00214
15
0.00000
0.00454
0.01585
16
0.00000
0.00455
-0.01585
17
0.00000
-0.00423
0.00866
18
0.00000
-0.02959
0.01732
19
0.00000
-0.02959
-0.01732
20
0.00000
-0.00423
-0.00867
21
0.00000
0.00846
-0.00204
22
0.00000
0.04655
0.02578
23
0.00000
0.04655
-0.02578
24
0.00000
0.00847
0.00204
25
0.00000
-0.00128
-0.00148
26
0.00000
-0.00128
0.00148
27
0.00000
0.00106
0.00403
28
0.00000
0.00106
-0.00403
29
0.00000
-0.00466
-0.03815
30
0.00000
-0.03564
-0.13421
31
0.00000
-0.03564
0.13421
32
0.00000
-0.00467
0.03815
33
0.00000
-0.05029
-0.03966
34
0.00000
-0.21686
-0.13041
35
0.00000
-0.21686
0.13041
36
0.00000
-0.05030
0.03966
37
0.00000
-0.01505
-0.00497
38
0.00000
0.41765
0.20079
39
0.00000
0.41765
-0.20079
40
0.00000
-0.01505
0.00497
41
0.00000
-0.00135
0.02468
42
0.00000
-0.00135
-0.02467