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	hartrees
Energy at 0K	-1190.318629
Energy at 298.15K	-1190.319083
HF Energy	-1190.318629
Nuclear repulsion energy	344.548525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1818	1755	118.86
2	A₁	1031	994	123.78
3	A₁	591	570	5.82
4	A₁	401	387	0.10
5	A₁	232	224	0.00
6	A₂	156	150	0.00
7	B₁	651	628	18.76
8	B₁	311	300	0.14
9	B₂	1361	1313	79.66
10	B₂	901	869	130.35
11	B₂	450	435	3.20
12	B₂	177	171	3.90

Atom	y (Å)	z (Å)
C1	0.000	1.102
C2	0.000	-0.219
F3	1.114	1.853
F4	-1.114	1.853
Cl5	1.535	-1.137
Cl6	-1.535	-1.137

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3204	1.3439	1.3439	2.7147	2.7147
C2	1.3204		2.3523	2.3523	1.7891	1.7891
F3	1.3439	2.3523		2.2289	3.0193	3.9951
F4	1.3439	2.3523	2.2289		3.9951	3.0193
Cl5	2.7147	1.7891	3.0193	3.9951		3.0710
Cl6	2.7147	1.7891	3.9951	3.0193	3.0710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.881	C1	C2	Cl6	120.881
C2	C1	F3	123.979	C2	C1	F4	123.979
F3	C1	F4	112.042	Cl5	C2	Cl6	118.239

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYP/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	0.693
2	C	-0.614
3	F	-0.235
4	F	-0.235
5	Cl	0.195
6	Cl	0.195

	x	y	z	Total
	0.000	0.000	0.461	0.461
CHELPG
AIM
ESP

<r²>	244.815
(<r²>)^1/2	15.647

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)