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	hartrees
Energy at 0K	-1193.914762
Energy at 298.15K	-1193.914974
HF Energy	-1193.397670
Nuclear repulsion energy	337.204961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1711	1652	90.04
2	A₁	928	895	131.20
3	A₁	545	526	3.97
4	A₁	382	369	2.47
5	A₁	243	235	0.19
6	A₂	144	139	0.00
7	B₁	506	488	12.63
8	B₁	299	289	0.26
9	B₂	1171	1131	116.80
10	B₂	897	866	81.76
11	B₂	425	410	0.42
12	B₂	173	167	4.07

Atom	y (Å)	z (Å)
C1	0.000	1.124
C2	0.000	-0.232
F3	1.143	1.913
F4	-1.143	1.913
Cl5	1.547	-1.170
Cl6	-1.547	-1.170

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3555	1.3895	1.3895	2.7669	2.7669
C2	1.3555		2.4307	2.4307	1.8092	1.8092
F3	1.3895	2.4307		2.2866	3.1101	4.0921
F4	1.3895	2.4307	2.2866		4.0921	3.1101
Cl5	2.7669	1.8092	3.1101	4.0921		3.0932
Cl6	2.7669	1.8092	4.0921	3.1101	3.0932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.258	C1	C2	Cl6	121.258
C2	C1	F3	124.630	C2	C1	F4	124.630
F3	C1	F4	110.741	Cl5	C2	Cl6	117.483

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: MP2/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)