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)
-0.04600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00980
0.01752
2
0.00000
0.00980
-0.01752
3
0.00000
-0.00443
0.00519
4
0.00000
-0.01935
-0.02383
5
0.00000
-0.01935
0.02383
6
0.00000
-0.00443
-0.00519
7
0.00000
-0.01538
-0.00693
8
0.00000
-0.01708
-0.03145
9
0.00000
-0.01708
0.03145
10
0.00000
-0.01538
0.00693
11
0.00000
-0.06678
-0.04105
12
0.00000
0.04143
-0.05901
13
0.00000
0.04143
0.05901
14
0.00000
-0.06678
0.04105
15
0.00000
0.02625
-0.01113
16
0.00000
0.02625
0.01113
17
0.00000
0.06643
0.02592
18
0.00000
-0.01266
0.02046
19
0.00000
-0.01266
-0.02046
20
0.00000
0.06643
-0.02592
21
0.00000
0.00003
0.05384
22
0.00000
-0.03606
0.04907
23
0.00000
-0.03606
-0.04907
24
0.00000
0.00003
-0.05384
25
0.00000
-0.02580
-0.03931
26
0.00000
-0.02580
0.03931
27
0.00000
0.05226
-0.07969
28
0.00000
0.05226
0.07969
29
0.00000
0.06605
0.00895
30
0.00000
-0.01331
-0.02640
31
0.00000
-0.01331
0.02640
32
0.00000
0.06605
-0.00895
33
0.00000
-0.00299
0.05106
34
0.00000
-0.00840
0.06448
35
0.00000
-0.00840
-0.06448
36
0.00000
-0.00299
-0.05106
37
0.00000
-0.00377
-0.11006
38
0.00000
0.00276
-0.08058
39
0.00000
0.00276
0.08058
40
0.00000
-0.00377
0.11006
41
0.00000
-0.02427
0.06512
42
0.00000
-0.02427
-0.06512