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)
-0.03000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02286
-0.01394
2
0.00000
0.02285
0.01390
3
0.00000
-0.00431
-0.05305
4
0.00000
-0.03218
-0.00932
5
0.00000
-0.03220
0.00934
6
0.00000
-0.00433
0.05307
7
0.00000
0.01772
0.05715
8
0.00000
0.04486
-0.02821
9
0.00000
0.04485
0.02820
10
0.00000
0.01772
-0.05716
11
0.00000
-0.01037
-0.05461
12
0.00000
0.00454
0.02825
13
0.00000
0.00454
-0.02825
14
0.00000
-0.01037
0.05461
15
0.00000
0.02931
0.03443
16
0.00000
0.02932
-0.03444
17
0.00000
-0.04132
-0.03529
18
0.00000
-0.00263
0.04542
19
0.00000
-0.00263
-0.04540
20
0.00000
-0.04132
0.03529
21
0.00000
0.04126
0.03362
22
0.00000
-0.03462
-0.02020
23
0.00000
-0.03460
0.02020
24
0.00000
0.04127
-0.03362
25
0.00000
0.00534
-0.02450
26
0.00000
0.00534
0.02450
27
0.00000
-0.01688
0.01505
28
0.00000
-0.01687
-0.01506
29
0.00000
-0.04732
0.11648
30
0.00000
-0.00344
-0.06471
31
0.00000
-0.00344
0.06470
32
0.00000
-0.04732
-0.11650
33
0.00000
-0.23641
-0.13587
34
0.00000
-0.00777
-0.00442
35
0.00000
-0.00778
0.00442
36
0.00000
-0.23640
0.13587
37
0.00000
0.04804
0.05637
38
0.00000
-0.04316
0.00074
39
0.00000
-0.04318
-0.00072
40
0.00000
0.04804
-0.05637
41
0.00000
0.00943
0.25582
42
0.00000
0.00943
-0.25584