Charge: 2
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/q+2
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.30900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03269
-0.00391
2
0.00000
-0.03269
0.00391
3
0.00000
-0.04702
-0.00020
4
0.00000
-0.04702
0.00020
5
0.00000
-0.00089
-0.02476
6
0.00000
-0.00089
0.02476
7
0.00000
-0.03577
0.01382
8
0.00000
-0.03577
-0.01382
9
0.00000
0.02781
-0.01048
10
0.00000
0.02781
0.01048
11
0.00000
-0.04958
-0.04125
12
0.00000
-0.04958
0.04125
13
0.00000
-0.00211
-0.05530
14
0.00000
-0.00211
0.05530
15
0.00000
-0.02220
-0.06534
16
0.00000
-0.02220
0.06534
17
0.00000
0.03765
0.05871
18
0.00000
0.03765
-0.05871
19
0.00000
0.11132
0.02719
20
0.00000
0.11132
-0.02719
21
0.00000
-0.02257
-0.08445
22
0.00000
-0.02257
0.08445
23
0.00000
-0.06839
-0.04995
24
0.00000
-0.06839
0.04995
25
0.00000
0.01575
-0.06548
26
0.00000
0.01575
0.06548
27
0.00000
0.04599
-0.02121
28
0.00000
0.04599
0.02121
29
0.00000
0.03568
0.12173
30
0.00000
0.03568
-0.12173
31
0.00000
0.15414
0.05298
32
0.00000
0.15414
-0.05298