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	hartrees
Energy at 0K	-1158.288710
Energy at 298.15K	-1158.289992
HF Energy	-1158.288710
Nuclear repulsion energy	301.739350

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	1098	1061	352.74	1.18	0.75	0.86
2	A₁	660	638	17.20	4.95	0.00	0.00
3	A₁	444	429	1.21	8.98	0.23	0.37
4	A₁	261	253	0.06	4.62	0.67	0.80
5	A₂	322	312	0.00	2.13	0.75	0.86
6	B₁	867	837	474.30	2.80	0.75	0.86
7	B₁	425	411	1.43	4.89	0.75	0.86
8	B₂	1171	1132	259.10	0.12	0.75	0.86
9	B₂	432	417	0.57	2.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
F2	0.000	1.080	1.124
F3	0.000	-1.080	1.124
Cl4	1.479	0.000	-0.656
Cl5	-1.479	0.000	-0.656

	C1	F2	F3	Cl4	Cl5
C1		1.3325	1.3325	1.7849	1.7849
F2	1.3325		2.1597	2.5538	2.5538
F3	1.3325	2.1597		2.5538	2.5538
Cl4	1.7849	2.5538	2.5538		2.9576
Cl5	1.7849	2.5538	2.5538	2.9576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.271	F2	C1	Cl4	109.153
F2	C1	Cl5	109.153	F3	C1	Cl4	109.153
F3	C1	Cl5	109.153	Cl4	C1	Cl5	111.888

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: B3LYP/6-311G*

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	-0.298	0.298
CHELPG
AIM
ESP	0.004	0.000	-0.213	0.213

<r²>	158.926
(<r²>)^1/2	12.607

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)