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	hartrees
Energy at 0K	-238.861940
Energy at 298.15K	-238.864788
HF Energy	-238.861940
Nuclear repulsion energy	77.456714

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	3055	2936	47.02	116.37	0.09	0.16
2	A₁	1534	1475	0.55	4.44	0.70	0.83
3	A₁	1141	1097	102.63	3.47	0.29	0.44
4	A₁	536	515	4.53	1.48	0.69	0.81
5	A₂	1279	1229	0.00	7.02	0.75	0.86
6	B₁	3125	3003	44.68	45.03	0.75	0.86
7	B₁	1191	1144	18.17	1.43	0.75	0.86
8	B₂	1465	1408	17.39	2.16	0.75	0.86
9	B₂	1125	1081	240.15	2.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.910	0.000	1.103
H3	0.910	0.000	1.103
F4	0.000	1.098	-0.289
F5	0.000	-1.098	-0.289

	C1	H2	H3	F4	F5
C1		1.0925	1.0925	1.3516	1.3516
H2	1.0925		1.8203	1.9931	1.9931
H3	1.0925	1.8203		1.9931	1.9931
F4	1.3516	1.9931	1.9931		2.1969
F5	1.3516	1.9931	1.9931	2.1969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.827	H2	C1	F4	108.804
H2	C1	F5	108.804	H3	C1	F4	108.804
H3	C1	F5	108.804	F4	C1	F5	108.721

All results from a given calculation for CH₂F₂ (Methane, difluoro-)

using model chemistry: HSEh1PBE/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	0.324
2	H	0.033
3	H	0.033
4	F	-0.195
5	F	-0.195

	x	y	z	Total
	0.000	0.000	1.824	1.824
CHELPG
AIM
ESP

<r²>	39.013
(<r²>)^1/2	6.246

All results from a given calculation for CH2F2 (Methane, difluoro-)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂F₂ (Methane, difluoro-)