Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.462230
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.072335 b
(cm-1)
0.015148 c
(cm-1)
0.012525
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
0.000000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Atom
Basis Sets
1
Carbon(C, 6, 12)
CC-PVTZ
2
Carbon(C, 6, 12)
CC-PVTZ
3
Carbon(C, 6, 12)
CC-PVTZ
4
Carbon(C, 6, 12)
CC-PVTZ
5
Carbon(C, 6, 12)
CC-PVTZ
6
Carbon(C, 6, 12)
CC-PVTZ
7
Carbon(C, 6, 12)
CC-PVTZ
8
Carbon(C, 6, 12)
CC-PVTZ
9
Carbon(C, 6, 12)
CC-PVTZ
10
Carbon(C, 6, 12)
CC-PVTZ
11
Carbon(C, 6, 12)
CC-PVTZ
12
Carbon(C, 6, 12)
CC-PVTZ
13
Carbon(C, 6, 12)
CC-PVTZ
14
Carbon(C, 6, 12)
CC-PVTZ
15
Hydrogen(H, 1, 1)
CC-PVTZ
16
Hydrogen(H, 1, 1)
CC-PVTZ
17
Hydrogen(H, 1, 1)
CC-PVTZ
18
Hydrogen(H, 1, 1)
CC-PVTZ
19
Hydrogen(H, 1, 1)
CC-PVTZ
20
Hydrogen(H, 1, 1)
CC-PVTZ
21
Hydrogen(H, 1, 1)
CC-PVTZ
22
Hydrogen(H, 1, 1)
CC-PVTZ
23
Hydrogen(H, 1, 1)
CC-PVTZ
24
Hydrogen(H, 1, 1)
CC-PVTZ