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	hartrees
Energy at 0K	-1196.410423
Energy at 298.15K	-1196.411036
HF Energy	-1196.410423
Nuclear repulsion energy	354.284852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1822	1743	177.92
2	A₁	1064	1018	202.30
3	A₁	642	614	3.77
4	A₁	442	423	0.41
5	A₁	258	247	0.12
6	A₂	156	150	0.00
7	B₁	611	584	8.84
8	B₁	333	318	0.05
9	B₂	1363	1304	168.19
10	B₂	995	952	147.28
11	B₂	464	444	0.97
12	B₂	180	172	2.59

Atom	y (Å)	z (Å)
C1	0.000	1.090
C2	0.000	-0.233
F3	1.082	1.823
F4	-1.082	1.823
Cl5	1.472	-1.116
Cl6	-1.472	-1.116

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3232	1.3065	1.3065	2.6526	2.6526
C2	1.3232		2.3228	2.3228	1.7168	1.7168
F3	1.3065	2.3228		2.1641	2.9647	3.8936
F4	1.3065	2.3228	2.1641		3.8936	2.9647
Cl5	2.6526	1.7168	2.9647	3.8936		2.9439
Cl6	2.6526	1.7168	3.8936	2.9647	2.9439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.974	C1	C2	Cl6	120.974
C2	C1	F3	124.085	C2	C1	F4	124.085
F3	C1	F4	111.829	Cl5	C2	Cl6	118.052

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B1B95/TZVP

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	0.460
2	C	-0.208
3	F	-0.133
4	F	-0.133
5	Cl	0.007
6	Cl	0.007

	x	y	z	Total
	0.000	0.000	-0.040	0.040
CHELPG
AIM
ESP

<r²>	232.909
(<r²>)^1/2	15.261

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)