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	hartrees
Energy at 0K	-1196.184425
Energy at 298.15K	-1196.184765
HF Energy	-1196.184425
Nuclear repulsion energy	347.072720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1699	1690	136.01
2	A₁	976	971	181.26
3	A₁	589	586	3.32
4	A₁	409	407	0.40
5	A₁	252	251	0.20
6	A₂	141	141	0.00
7	B₁	524	521	5.72
8	B₁	309	307	0.00
9	B₂	1229	1222	156.11
10	B₂	892	887	164.26
11	B₂	428	426	1.68
12	B₂	179	178	2.49

Atom	y (Å)	z (Å)
C1	0.000	1.109
C2	0.000	-0.238
F3	1.109	1.864
F4	-1.109	1.864
Cl5	1.497	-1.140
Cl6	-1.497	-1.140

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3473	1.3414	1.3414	2.7023	2.7023
C2	1.3473		2.3764	2.3764	1.7480	1.7480
F3	1.3414	2.3764		2.2185	3.0290	3.9771
F4	1.3414	2.3764	2.2185		3.9771	3.0290
Cl5	2.7023	1.7480	3.0290	3.9771		2.9941
Cl6	2.7023	1.7480	3.9771	3.0290	2.9941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.082	C1	C2	Cl6	121.082
C2	C1	F3	124.217	C2	C1	F4	124.217
F3	C1	F4	111.566	Cl5	C2	Cl6	117.836

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: BLYP/6-31+G**

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	0.344
2	C	-0.124
3	F	-0.258
4	F	-0.258
5	Cl	0.148
6	Cl	0.148

	x	y	z	Total
	0.000	0.000	-0.198	0.198
CHELPG
AIM
ESP

<r²>	241.928
(<r²>)^1/2	15.554

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)