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)
-0.87800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00791
-0.09018
2
0.00000
-0.00791
0.09018
3
0.00000
0.02622
0.07456
4
0.00000
0.02622
-0.07456
5
0.00000
0.01445
0.06079
6
0.00000
0.01445
-0.06079
7
0.00000
-0.01172
-0.03538
8
0.00000
-0.01172
0.03538
9
0.00000
0.01698
-0.03433
10
0.00000
0.01698
0.03433
11
0.00000
-0.06816
-0.05178
12
0.00000
-0.06816
0.05178
13
0.00000
-0.03953
0.00974
14
0.00000
-0.03953
-0.00974
15
0.00000
0.04308
0.00676
16
0.00000
0.04308
-0.00676
17
0.00000
0.00034
0.01897
18
0.00000
0.00034
-0.01897
19
0.00000
0.00263
-0.00760
20
0.00000
0.00263
0.00760
21
0.00000
0.05098
-0.00032
22
0.00000
0.05098
0.00032
23
0.00000
0.25508
0.14447
24
0.00000
0.25508
-0.14447
25
0.00000
0.04175
-0.03355
26
0.00000
0.04175
0.03355
27
0.00000
-0.07225
0.01479
28
0.00000
-0.07225
-0.01479
29
0.00000
-0.00119
-0.10977
30
0.00000
-0.00119
0.10977
31
0.00000
0.00679
-0.00722
32
0.00000
0.00679
0.00722