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	hartrees
Energy at 0K	-1150.006678
Energy at 298.15K	-1150.007934
HF Energy	-1150.006678
Nuclear repulsion energy	296.493056

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	1231	1115	336.85	6.37	0.65	0.78
2	A₁	649	587	34.36	9.73	0.03	0.06
3	A₁	428	387	0.08	20.09	0.23	0.38
4	A₁	257	232	0.51	5.98	0.66	0.79
5	A₂	317	287	0.00	2.86	0.75	0.86
6	B₁	886	802	492.93	11.25	0.75	0.86
7	B₁	414	375	0.15	7.75	0.75	0.86
8	B₂	1394	1263	208.94	0.75	0.75	0.86
9	B₂	408	370	7.98	3.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
F2	0.000	1.093	1.142
F3	0.000	-1.093	1.142
Cl4	1.509	0.000	-0.671
Cl5	-1.509	0.000	-0.671

	C1	F2	F3	Cl4	Cl5
C1		1.3354	1.3354	1.8356	1.8356
F2	1.3354		2.1866	2.5993	2.5993
F3	1.3354	2.1866		2.5993	2.5993
Cl4	1.8356	2.5993	2.5993		3.0172
Cl5	1.8356	2.5993	2.5993	3.0172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	109.913	F2	C1	Cl4	109.094
F2	C1	Cl5	109.094	F3	C1	Cl4	109.094
F3	C1	Cl5	109.094	Cl4	C1	Cl5	110.541

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: HF/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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	x	y	z	Total
	0.000	0.000	-0.226	0.226
CHELPG	0.000	0.000	-0.139	0.139
AIM
ESP	0.004	0.000	-0.123	0.123

Number	Element	Mulliken
1	C	0.424
2	F	-0.332
3	F	-0.332
4	Cl	0.119
5	Cl	0.119

<r²>	164.792
(<r²>)^1/2	12.837

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)