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	hartrees
Energy at 0K	-1196.171631
Energy at 298.15K	-1196.172221
HF Energy	-1196.171631
Nuclear repulsion energy	352.977407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1840	1840	178.38
2	A₁	1065	1065	176.46
3	A₁	635	635	3.37
4	A₁	439	439	0.93
5	A₁	255	255	0.17
6	A₂	157	157	0.00
7	B₁	614	614	6.65
8	B₁	306	306	0.03
9	B₂	1371	1371	142.72
10	B₂	994	994	122.59
11	B₂	463	463	0.40
12	B₂	185	185	2.41

Atom	y (Å)	z (Å)
C1	0.000	1.094
C2	0.000	-0.236
F3	1.087	1.832
F4	-1.087	1.832
Cl5	1.474	-1.122
Cl6	-1.474	-1.122

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3295	1.3141	1.3141	2.6611	2.6611
C2	1.3295		2.3362	2.3362	1.7199	1.7199
F3	1.3141	2.3362		2.1739	2.9793	3.9096
F4	1.3141	2.3362	2.1739		3.9096	2.9793
Cl5	2.6611	1.7199	2.9793	3.9096		2.9481
Cl6	2.6611	1.7199	3.9096	2.9793	2.9481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.011	C1	C2	Cl6	121.011
C2	C1	F3	124.194	C2	C1	F4	124.194
F3	C1	F4	111.613	Cl5	C2	Cl6	117.979

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: M06-2X/aug-cc-pVDZ

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	1.524
2	C	-0.774
3	F	-0.372
4	F	-0.372
5	Cl	-0.003
6	Cl	-0.003

	x	y	z	Total
	0.000	0.000	-0.087	0.087
CHELPG
AIM
ESP

<r²>	234.612
(<r²>)^1/2	15.317

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)