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	hartrees
Energy at 0K	-1152.596097
Energy at 298.15K	-1152.597319
HF Energy	-1152.596097
Nuclear repulsion energy	300.239579

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	1118	1059	266.93	1.42	0.70	0.83
2	A₁	633	600	23.64	6.14	0.01	0.01
3	A₁	435	412	0.09	9.14	0.24	0.38
4	A₁	266	252	0.01	3.60	0.67	0.80
5	A₂	308	292	0.00	2.23	0.75	0.86
6	B₁	852	808	438.07	2.37	0.75	0.86
7	B₁	414	392	0.10	4.79	0.75	0.86
8	B₂	1233	1169	167.07	0.47	0.75	0.86
9	B₂	417	396	3.28	2.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.346
F2	0.000	1.108	1.137
F3	0.000	-1.108	1.137
Cl4	1.465	0.000	-0.663
Cl5	-1.465	0.000	-0.663

	C1	F2	F3	Cl4	Cl5
C1		1.3610	1.3610	1.7781	1.7781
F2	1.3610		2.2152	2.5708	2.5708
F3	1.3610	2.2152		2.5708	2.5708
Cl4	1.7781	2.5708	2.5708		2.9290
Cl5	1.7781	2.5708	2.5708	2.9290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.938	F2	C1	Cl4	109.243
F2	C1	Cl5	109.243	F3	C1	Cl4	109.243
F3	C1	Cl5	109.243	Cl4	C1	Cl5	110.902

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.374
2	F	-0.254
3	F	-0.254
4	Cl	0.067
5	Cl	0.067

	x	y	z	Total
	0.000	0.000	-0.419	0.419
CHELPG
AIM
ESP

<r²>	159.140
(<r²>)^1/2	12.615

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)