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	hartrees
Energy at 0K	-1196.382944
Energy at 298.15K	-1196.383563
HF Energy	-1196.382944
Nuclear repulsion energy	354.739415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1827	1751	189.71
2	A₁	1066	1022	202.61
3	A₁	642	616	3.53
4	A₁	443	425	0.38
5	A₁	264	253	0.28
6	A₂	157	151	0.00
7	B₁	622	596	11.86
8	B₁	336	322	0.17
9	B₂	1373	1316	161.93
10	B₂	998	957	152.69
11	B₂	465	446	1.00
12	B₂	179	172	2.62

Atom	y (Å)	z (Å)
C1	0.000	1.092
C2	0.000	-0.234
F3	1.082	1.822
F4	-1.082	1.822
Cl5	1.467	-1.116
Cl6	-1.467	-1.116

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3254	1.3055	1.3055	2.6508	2.6508
C2	1.3254		2.3229	2.3229	1.7120	1.7120
F3	1.3055	2.3229		2.1645	2.9630	3.8898
F4	1.3055	2.3229	2.1645		3.8898	2.9630
Cl5	2.6508	1.7120	2.9630	3.8898		2.9341
Cl6	2.6508	1.7120	3.8898	2.9630	2.9341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.029	C1	C2	Cl6	121.029
C2	C1	F3	124.002	C2	C1	F4	124.002
F3	C1	F4	111.997	Cl5	C2	Cl6	117.942

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B1B95/6-311G*

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	0.594
2	C	-0.404
3	F	-0.152
4	F	-0.152
5	Cl	0.057
6	Cl	0.057

	x	y	z	Total
	0.000	0.000	0.232	0.232
CHELPG
AIM
ESP

<r²>	232.479
(<r²>)^1/2	15.247

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)