Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
Electronic States
Energy
(eV)
-385.338867
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.094760 b
(cm-1)
0.041042 c
(cm-1)
0.028638
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
-0.369441
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Atom
Basis Sets
1
Carbon(C, 6, 12)
4-31g
2
Carbon(C, 6, 12)
4-31g
3
Carbon(C, 6, 12)
4-31g
4
Carbon(C, 6, 12)
4-31g
5
Carbon(C, 6, 12)
4-31g
6
Carbon(C, 6, 12)
4-31g
7
Carbon(C, 6, 12)
4-31g
8
Carbon(C, 6, 12)
4-31g
9
Carbon(C, 6, 12)
4-31g
10
Carbon(C, 6, 12)
4-31g
11
Hydrogen(H, 1, 1)
4-31g
12
Hydrogen(H, 1, 1)
4-31g
13
Hydrogen(H, 1, 1)
4-31g
14
Hydrogen(H, 1, 1)
4-31g
15
Hydrogen(H, 1, 1)
4-31g
16
Hydrogen(H, 1, 1)
4-31g
17
Hydrogen(H, 1, 1)
4-31g
18
Hydrogen(H, 1, 1)
4-31g