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	hartrees
Energy at 0K	-1195.582089
Energy at 298.15K	-1195.582512
HF Energy	-1195.582089
Nuclear repulsion energy	349.766143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1726	1706	139.66
2	A₁	1005	994	178.19
3	A₁	605	599	3.07
4	A₁	422	417	0.57
5	A₁	256	253	0.19
6	A₂	145	143	0.00
7	B₁	537	531	5.88
8	B₁	317	313	0.05
9	B₂	1274	1260	161.81
10	B₂	939	928	161.80
11	B₂	438	433	1.04
12	B₂	180	178	2.26

Atom	y (Å)	z (Å)
C1	0.000	1.105
C2	0.000	-0.242
F3	1.103	1.851
F4	-1.103	1.851
Cl5	1.483	-1.132
Cl6	-1.483	-1.132

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3470	1.3317	1.3317	2.6833	2.6833
C2	1.3470		2.3660	2.3660	1.7290	1.7290
F3	1.3317	2.3660		2.2058	3.0068	3.9474
F4	1.3317	2.3660	2.2058		3.9474	3.0068
Cl5	2.6833	1.7290	3.0068	3.9474		2.9652
Cl6	2.6833	1.7290	3.9474	3.0068	2.9652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.963	C1	C2	Cl6	120.963
C2	C1	F3	124.083	C2	C1	F4	124.083
F3	C1	F4	111.834	Cl5	C2	Cl6	118.074

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/6-31+G**

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	0.275
2	C	-0.203
3	F	-0.242
4	F	-0.242
5	Cl	0.205
6	Cl	0.205

	x	y	z	Total
	0.000	0.000	-0.086	0.086
CHELPG
AIM
ESP

<r²>	238.389
(<r²>)^1/2	15.440

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)