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	hartrees
Energy at 0K	-1158.245564
Energy at 298.15K	-1158.246898
HF Energy	-1158.245564
Nuclear repulsion energy	303.998555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1126	1126	297.72	2.95	0.45	0.62
2	A₁	678	678	13.29	9.87	0.01	0.02
3	A₁	458	458	0.40	8.42	0.11	0.20
4	A₁	261	261	0.05	1.56	0.54	0.71
5	A₂	323	323	0.00	0.82	0.75	0.86
6	B₁	902	902	388.31	3.03	0.75	0.86
7	B₁	438	438	0.15	2.65	0.75	0.86
8	B₂	1191	1191	210.79	1.41	0.75	0.86
9	B₂	439	439	0.16	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
F2	0.000	1.073	1.121
F3	0.000	-1.073	1.121
Cl4	1.462	0.000	-0.654
Cl5	-1.462	0.000	-0.654

	C1	F2	F3	Cl4	Cl5
C1		1.3248	1.3248	1.7704	1.7704
F2	1.3248		2.1464	2.5378	2.5378
F3	1.3248	2.1464		2.5378	2.5378
Cl4	1.7704	2.5378	2.5378		2.9241
Cl5	1.7704	2.5378	2.5378	2.9241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.212	F2	C1	Cl4	109.306
F2	C1	Cl5	109.306	F3	C1	Cl4	109.306
F3	C1	Cl5	109.306	Cl4	C1	Cl5	111.346

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: wB97X-D/daug-cc-pVTZ

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	2.393
2	F	-0.604
3	F	-0.604
4	Cl	-0.593
5	Cl	-0.593

	x	y	z	Total
	0.000	0.000	-0.326	0.326
CHELPG
AIM
ESP

<r²>	156.315
(<r²>)^1/2	12.503

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)