Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
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)
0.46200
Eigenvectors
#
X
Y
Z
1
0.00000
0.04496
-0.05910
2
0.00000
-0.04496
-0.05910
3
0.00000
0.01080
0.06346
4
0.00000
-0.01080
0.06346
5
0.00000
-0.03735
0.05348
6
0.00000
0.03735
0.05348
7
0.00000
-0.02581
-0.00552
8
0.00000
0.02580
-0.00552
9
0.00000
-0.00677
-0.01299
10
0.00000
0.00677
-0.01299
11
0.00000
-0.06449
-0.02531
12
0.00000
0.06449
-0.02531
13
0.00000
0.05455
-0.01906
14
0.00000
-0.05455
-0.01906
15
0.00000
0.00804
-0.02799
16
0.00000
-0.00804
-0.02798
17
0.00000
0.01000
-0.00498
18
0.00000
-0.01000
-0.00498
19
0.00000
-0.02290
-0.00324
20
0.00000
0.02290
-0.00324
21
0.00000
0.00816
0.22552
22
0.00000
-0.00816
0.22552
23
0.00000
0.26340
0.18394
24
0.00000
-0.26340
0.18394
25
0.00000
-0.17725
0.11632
26
0.00000
0.17725
0.11632
27
0.00000
0.01752
-0.03057
28
0.00000
-0.01752
-0.03057
29
0.00000
0.01096
-0.03898
30
0.00000
-0.01096
-0.03898
31
0.00000
0.03983
0.03463
32
0.00000
-0.03983
0.03463