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)
-0.06700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02807
0.00986
2
0.00000
0.02807
-0.00986
3
0.00000
0.04424
-0.00227
4
0.00000
0.00839
-0.00490
5
0.00000
0.00839
0.00490
6
0.00000
0.04424
0.00227
7
0.00000
0.04323
-0.01280
8
0.00000
-0.01710
-0.01959
9
0.00000
-0.01710
0.01959
10
0.00000
0.04323
0.01280
11
0.00000
0.02174
-0.01825
12
0.00000
-0.04030
-0.00831
13
0.00000
-0.04030
0.00831
14
0.00000
0.02174
0.01825
15
0.00000
0.02747
0.02744
16
0.00000
0.02747
-0.02744
17
0.00000
0.03245
0.02594
18
0.00000
0.00320
-0.04577
19
0.00000
0.00320
0.04577
20
0.00000
0.03245
-0.02594
21
0.00000
0.04428
0.00890
22
0.00000
-0.01642
-0.03765
23
0.00000
-0.01642
0.03765
24
0.00000
0.04428
-0.00890
25
0.00000
-0.04705
-0.05721
26
0.00000
-0.04705
0.05721
27
0.00000
-0.11522
-0.02712
28
0.00000
-0.11522
0.02712
29
0.00000
0.03253
0.02998
30
0.00000
0.00323
-0.06767
31
0.00000
0.00323
0.06767
32
0.00000
0.03253
-0.02998
33
0.00000
0.05135
0.01001
34
0.00000
-0.02892
-0.04455
35
0.00000
-0.02892
0.04455
36
0.00000
0.05135
-0.01001
37
0.00000
-0.15926
-0.05295
38
0.00000
-0.05496
-0.01631
39
0.00000
-0.05496
0.01631
40
0.00000
-0.15926
0.05295
41
0.00000
-0.04629
-0.11521
42
0.00000
-0.04629
0.11521