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)
-0.72500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00194
0.01963
2
0.00000
0.00194
-0.01963
3
0.00000
-0.01959
-0.01062
4
0.00000
-0.01959
0.01062
5
0.00000
0.01254
0.02359
6
0.00000
0.01254
-0.02359
7
0.00000
0.02339
-0.04227
8
0.00000
0.02339
0.04227
9
0.00000
-0.00671
-0.02235
10
0.00000
-0.00671
0.02235
11
0.00000
-0.01452
-0.01132
12
0.00000
-0.01452
0.01132
13
0.00000
0.00284
-0.03650
14
0.00000
0.00284
0.03650
15
0.00000
-0.00078
0.04351
16
0.00000
-0.00078
-0.04351
17
0.00000
-0.04758
-0.03269
18
0.00000
-0.04758
0.03269
19
0.00000
0.01914
0.02675
20
0.00000
0.01914
-0.02675
21
0.00000
-0.00035
0.34699
22
0.00000
-0.00035
-0.34699
23
0.00000
-0.11570
-0.08201
24
0.00000
-0.11570
0.08201
25
0.00000
0.19189
-0.14185
26
0.00000
0.19189
0.14185
27
0.00000
0.05223
-0.05695
28
0.00000
0.05223
0.05695
29
0.00000
-0.05111
-0.19183
30
0.00000
-0.05111
0.19183
31
0.00000
0.27217
0.17547
32
0.00000
0.27217
-0.17547