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	hartrees
Energy at 0K	-1193.699061
Energy at 298.15K	-1193.699965
HF Energy	-1193.699061
Nuclear repulsion energy	357.124502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1963	1779	284.41
2	A₁	1145	1038	230.02
3	A₁	691	626	4.81
4	A₁	473	429	0.51
5	A₁	278	252	0.08
6	A₂	175	158	0.00
7	B₁	729	661	11.49
8	B₁	366	332	0.07
9	B₂	1489	1349	160.52
10	B₂	1079	978	119.30
11	B₂	504	457	0.55
12	B₂	206	186	2.68

Atom	y (Å)	z (Å)
C1	0.000	1.083
C2	0.000	-0.223
F3	1.060	1.813
F4	-1.060	1.813
Cl5	1.463	-1.111
Cl6	-1.463	-1.111

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3065	1.2868	1.2868	2.6377	2.6377
C2	1.3065		2.2956	2.2956	1.7118	1.7118
F3	1.2868	2.2956		2.1197	2.9520	3.8625
F4	1.2868	2.2956	2.1197		3.8625	2.9520
Cl5	2.6377	1.7118	2.9520	3.8625		2.9270
Cl6	2.6377	1.7118	3.8625	2.9520	2.9270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.247	C1	C2	Cl6	121.247
C2	C1	F3	124.549	C2	C1	F4	124.549
F3	C1	F4	110.903	Cl5	C2	Cl6	117.505

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.515
2	C	-0.022
3	F	-0.209
4	F	-0.209
5	Cl	-0.037
6	Cl	-0.037

	x	y	z	Total
	0.000	0.000	0.182	0.182
CHELPG
AIM
ESP

<r²>	230.241
(<r²>)^1/2	15.174

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)