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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
0.41700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00058
-0.06430
2
0.00000
-0.00058
-0.06430
3
0.00000
0.06331
0.02910
4
0.00000
-0.06331
0.02910
5
0.00000
-0.01774
-0.02444
6
0.00000
0.01774
-0.02444
7
0.00000
0.06676
0.05505
8
0.00000
-0.06676
0.05505
9
0.00000
0.00935
0.02972
10
0.00000
-0.00935
0.02972
11
0.00000
-0.02865
0.03471
12
0.00000
0.02865
0.03471
13
0.00000
0.03219
0.02611
14
0.00000
-0.03219
0.02611
15
0.00000
-0.03381
-0.02395
16
0.00000
0.03381
-0.02395
17
0.00000
-0.00737
-0.03268
18
0.00000
0.00737
-0.03268
19
0.00000
-0.06009
0.01380
20
0.00000
0.06009
0.01380
21
0.00000
-0.03492
-0.21335
22
0.00000
0.03492
-0.21335
23
0.00000
-0.08764
-0.00096
24
0.00000
0.08764
-0.00096
25
0.00000
0.07863
-0.00054
26
0.00000
-0.07863
-0.00054
27
0.00000
0.09403
-0.02035
28
0.00000
-0.09403
-0.02035
29
0.00000
-0.00781
-0.23701
30
0.00000
0.00781
-0.23701
31
0.00000
-0.16142
-0.04126
32
0.00000
0.16142
-0.04126