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	hartrees
Energy at 0K	-1190.114080
Energy at 298.15K	-1190.114585
HF Energy	-1190.114080
Nuclear repulsion energy	345.871935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1830	1759	119.69
2	A₁	1042	1001	125.32
3	A₁	598	575	5.70
4	A₁	408	392	0.17
5	A₁	238	229	0.00
6	A₂	156	150	0.00
7	B₁	658	633	20.41
8	B₁	321	308	0.25
9	B₂	1379	1325	83.64
10	B₂	921	886	131.45
11	B₂	456	438	2.71
12	B₂	178	171	3.72

Atom	y (Å)	z (Å)
C1	0.000	1.101
C2	0.000	-0.220
F3	1.112	1.850
F4	-1.112	1.850
Cl5	1.524	-1.135
Cl6	-1.524	-1.135

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3210	1.3408	1.3408	2.7055	2.7055
C2	1.3210		2.3503	2.3503	1.7771	1.7771
F3	1.3408	2.3503		2.2232	3.0138	3.9821
F4	1.3408	2.3503	2.2232		3.9821	3.0138
Cl5	2.7055	1.7771	3.0138	3.9821		3.0471
Cl6	2.7055	1.7771	3.9821	3.0138	3.0471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.980	C1	C2	Cl6	120.980
C2	C1	F3	124.001	C2	C1	F4	124.001
F3	C1	F4	111.999	Cl5	C2	Cl6	118.040

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3PW91/3-21G

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	0.712
2	C	-0.671
3	F	-0.238
4	F	-0.238
5	Cl	0.218
6	Cl	0.218

	x	y	z	Total
	0.000	0.000	0.440	0.440
CHELPG
AIM
ESP

<r²>	243.126
(<r²>)^1/2	15.592

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)