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	hartrees
Energy at 0K	-1158.256228
Energy at 298.15K	-1158.257575
HF Energy	-1158.256228
Nuclear repulsion energy	304.246516

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	1146	1102	346.24	0.91	0.68	0.81
2	A₁	674	648	16.12	5.16	0.00	0.00
3	A₁	459	441	0.29	7.34	0.21	0.35
4	A₁	262	252	0.00	3.76	0.65	0.79
5	A₂	322	309	0.00	1.74	0.75	0.86
6	B₁	902	867	447.64	1.81	0.75	0.86
7	B₁	437	420	0.19	3.76	0.75	0.86
8	B₂	1235	1187	258.61	0.24	0.75	0.86
9	B₂	436	419	0.86	2.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
F2	0.000	1.075	1.119
F3	0.000	-1.075	1.119
Cl4	1.461	0.000	-0.653
Cl5	-1.461	0.000	-0.653

	C1	F2	F3	Cl4	Cl5
C1		1.3264	1.3264	1.7666	1.7666
F2	1.3264		2.1490	2.5350	2.5350
F3	1.3264	2.1490		2.5350	2.5350
Cl4	1.7666	2.5350	2.5350		2.9211
Cl5	1.7666	2.5350	2.5350	2.9211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.207	F2	C1	Cl4	109.259
F2	C1	Cl5	109.259	F3	C1	Cl4	109.259
F3	C1	Cl5	109.259	Cl4	C1	Cl5	111.536

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: B1B95/cc-pVDZ

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	0.262
2	F	-0.118
3	F	-0.118
4	Cl	-0.013
5	Cl	-0.013

	x	y	z	Total
	0.000	0.000	-0.248	0.248
CHELPG
AIM
ESP

<r²>	155.795
(<r²>)^1/2	12.482

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)