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	hartrees
Energy at 0K	-88.027717
Energy at 298.15K	-88.028553
HF Energy	-88.027717
Nuclear repulsion energy	121.882187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1951	1763	279.86
2	A₁	1138	1028	241.76
3	A₁	681	615	5.21
4	A₁	468	422	0.64
5	A₁	274	248	0.07
6	A₂	171	155	0.00
7	B₁	686	620	13.23
8	B₁	358	323	0.01
9	B₂	1488	1344	175.17
10	B₂	1092	987	132.31
11	B₂	497	449	0.57
12	B₂	200	181	2.98

Atom	y (Å)	z (Å)
C1	0.000	1.093
C2	0.000	-0.225
F3	1.072	1.829
F4	-1.072	1.829
Cl5	1.477	-1.121
Cl6	-1.477	-1.121

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3175	1.3002	1.3002	2.6618	2.6618
C2	1.3175		2.3163	2.3163	1.7281	1.7281
F3	1.3002	2.3163		2.1436	2.9781	3.8989
F4	1.3002	2.3163	2.1436		3.8989	2.9781
Cl5	2.6618	1.7281	2.9781	3.8989		2.9542
Cl6	2.6618	1.7281	3.8989	2.9781	2.9542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.267	C1	C2	Cl6	121.267
C2	C1	F3	124.476	C2	C1	F4	124.476
F3	C1	F4	111.048	Cl5	C2	Cl6	117.466

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HF/CEP-121G*

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	0.629
2	C	-0.093
3	F	-0.225
4	F	-0.225
5	Cl	-0.043
6	Cl	-0.043

	x	y	z	Total
	0.000	0.000	0.176	0.176
CHELPG
AIM
ESP

<r²>	144.123
(<r²>)^1/2	12.005

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)