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	hartrees
Energy at 0K	-1158.239411
Energy at 298.15K	-1158.240772
HF Energy	-1158.239411
Nuclear repulsion energy	304.087478

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	1134	1084	316.82	1.53	0.73	0.84
2	A₁	680	650	14.40	5.88	0.00	0.01
3	A₁	459	439	0.45	6.98	0.19	0.31
4	A₁	261	250	0.02	2.57	0.64	0.78
5	A₂	324	310	0.00	1.29	0.75	0.86
6	B₁	906	866	412.08	2.93	0.75	0.86
7	B₁	439	420	0.22	3.55	0.75	0.86
8	B₂	1205	1152	230.13	0.48	0.75	0.86
9	B₂	440	421	0.38	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.345
F2	0.000	1.073	1.120
F3	0.000	-1.073	1.120
Cl4	1.462	0.000	-0.654
Cl5	-1.462	0.000	-0.654

	C1	F2	F3	Cl4	Cl5
C1		1.3236	1.3236	1.7705	1.7705
F2	1.3236		2.1456	2.5367	2.5367
F3	1.3236	2.1456		2.5367	2.5367
Cl4	1.7705	2.5367	2.5367		2.9244
Cl5	1.7705	2.5367	2.5367	2.9244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.290	F2	C1	Cl4	109.286
F2	C1	Cl5	109.286	F3	C1	Cl4	109.286
F3	C1	Cl5	109.286	Cl4	C1	Cl5	111.351

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: wB97X-D/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	0.362
2	F	-0.116
3	F	-0.116
4	Cl	-0.066
5	Cl	-0.066

	x	y	z	Total
	0.000	0.000	-0.255	0.255
CHELPG
AIM
ESP

<r²>	156.148
(<r²>)^1/2	12.496

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)