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	hartrees
Energy at 0K	-1158.018509
Energy at 298.15K	-1158.019856
HF Energy	-1158.018509
Nuclear repulsion energy	304.160168

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	1189	1126	321.22	1.30	0.75	0.86
2	A₁	679	643	19.42	5.21	0.00	0.01
3	A₁	461	436	0.06	8.10	0.22	0.37
4	A₁	265	251	0.00	3.53	0.65	0.79
5	A₂	326	309	0.00	1.67	0.75	0.86
6	B₁	917	868	454.50	2.79	0.75	0.86
7	B₁	441	418	0.00	3.78	0.75	0.86
8	B₂	1288	1219	227.91	0.30	0.75	0.86
9	B₂	435	412	1.34	1.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
F2	0.000	1.075	1.116
F3	0.000	-1.075	1.116
Cl4	1.464	0.000	-0.651
Cl5	-1.464	0.000	-0.651

	C1	F2	F3	Cl4	Cl5
C1		1.3260	1.3260	1.7676	1.7676
F2	1.3260		2.1498	2.5340	2.5340
F3	1.3260	2.1498		2.5340	2.5340
Cl4	1.7676	2.5340	2.5340		2.9274
Cl5	1.7676	2.5340	2.5340	2.9274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.316	F2	C1	Cl4	109.162
F2	C1	Cl5	109.162	F3	C1	Cl4	109.162
F3	C1	Cl5	109.162	Cl4	C1	Cl5	111.809

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: M06-2X/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	0.351
2	F	-0.217
3	F	-0.217
4	Cl	0.042
5	Cl	0.042

	x	y	z	Total
	0.000	0.000	-0.185	0.185
CHELPG
AIM
ESP

<r²>	156.100
(<r²>)^1/2	12.494

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)