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)
0.00000
Diff mu Z
(Debye)
-2.12200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00847
-0.05184
2
0.00000
-0.00847
-0.05185
3
0.00000
-0.01928
-0.00860
4
0.00000
-0.00880
0.02780
5
0.00000
0.00880
0.02780
6
0.00000
0.01928
-0.00860
7
0.00000
-0.09569
0.01915
8
0.00000
-0.02704
0.02152
9
0.00000
0.02705
0.02152
10
0.00000
0.09569
0.01915
11
0.00000
-0.04268
0.04860
12
0.00000
-0.01347
-0.00914
13
0.00000
0.01347
-0.00914
14
0.00000
0.04268
0.04860
15
0.00000
0.00208
0.05434
16
0.00000
-0.00208
0.05434
17
0.00000
0.00562
-0.00256
18
0.00000
0.00451
0.00312
19
0.00000
-0.00451
0.00312
20
0.00000
-0.00562
-0.00256
21
0.00000
0.04911
-0.02351
22
0.00000
0.02232
-0.02144
23
0.00000
-0.02232
-0.02144
24
0.00000
-0.04911
-0.02351
25
0.00000
0.00955
-0.03842
26
0.00000
-0.00955
-0.03842
27
0.00000
0.01547
0.01090
28
0.00000
-0.01547
0.01090
29
0.00000
0.00913
-0.13543
30
0.00000
0.00669
-0.12496
31
0.00000
-0.00669
-0.12494
32
0.00000
-0.00912
-0.13544
33
0.00000
0.27096
0.10830
34
0.00000
0.06194
-0.00217
35
0.00000
-0.06195
-0.00217
36
0.00000
-0.27096
0.10830
37
0.00000
0.01903
0.01254
38
0.00000
-0.10398
-0.06196
39
0.00000
0.10397
-0.06195
40
0.00000
-0.01903
0.01255
41
0.00000
0.00888
-0.15253
42
0.00000
-0.00888
-0.15254