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)
0.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02931
0.04333
2
0.00000
-0.02931
-0.04333
3
0.00000
0.06517
-0.01926
4
0.00000
0.06517
0.01926
5
0.00000
0.07500
-0.04339
6
0.00000
0.07500
0.04339
7
0.00000
-0.01106
-0.00263
8
0.00000
-0.01106
0.00263
9
0.00000
-0.02084
0.02291
10
0.00000
-0.02084
-0.02291
11
0.00000
-0.06043
-0.00610
12
0.00000
-0.06043
0.00610
13
0.00000
-0.09402
0.06046
14
0.00000
-0.09402
-0.06046
15
0.00000
0.04376
-0.04748
16
0.00000
0.04376
0.04748
17
0.00000
0.00744
0.01888
18
0.00000
0.00744
-0.01888
19
0.00000
-0.00823
-0.01556
20
0.00000
-0.00823
0.01556
21
0.00000
0.05010
0.05498
22
0.00000
0.05010
-0.05498
23
0.00000
0.08455
0.08590
24
0.00000
0.08455
-0.08590
25
0.00000
0.14804
-0.07272
26
0.00000
0.14804
0.07272
27
0.00000
0.06361
-0.02527
28
0.00000
0.06361
0.02527
29
0.00000
0.00916
-0.04691
30
0.00000
0.00916
0.04691
31
0.00000
0.03188
0.00592
32
0.00000
0.03188
-0.00592