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	hartrees
Energy at 0K	-1196.004125
Energy at 298.15K	-1196.004633
HF Energy	-1196.004125
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1849	1849	113.13
2	A₁	1019	1019	145.59
3	A₁	598	598	5.05
4	A₁	416	416	1.06
5	A₁	254	254	0.04
6	A₂	150	150	0.00
7	B₁	617	617	15.28
8	B₁	333	333	0.45
9	B₂	1321	1321	102.54
10	B₂	964	964	123.65
11	B₂	451	451	1.05
12	B₂	182	182	3.82

Atom	y (Å)	z (Å)
C1	0.000	1.106
C2	0.000	-0.219
F3	1.118	1.865
F4	-1.118	1.865
Cl5	1.510	-1.144
Cl6	-1.510	-1.144

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3253	1.3517	1.3517	2.7097	2.7097
C2	1.3253		2.3655	2.3655	1.7708	1.7708
F3	1.3517	2.3655		2.2368	3.0343	3.9954
F4	1.3517	2.3655	2.2368		3.9954	3.0343
Cl5	2.7097	1.7708	3.0343	3.9954		3.0206
Cl6	2.7097	1.7708	3.9954	3.0343	3.0206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.470	C1	C2	Cl6	121.470
C2	C1	F3	124.167	C2	C1	F4	124.167
F3	C1	F4	111.666	Cl5	C2	Cl6	117.061

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: wB97X-D/6-31G

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	0.707
2	C	-0.574
3	F	-0.260
4	F	-0.260
5	Cl	0.194
6	Cl	0.194

	x	y	z	Total
	0.000	0.000	-0.168	0.168
CHELPG
AIM
ESP

<r²>	243.961
(<r²>)^1/2	15.619

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)