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	hartrees
Energy at 0K	-238.775237
Energy at 298.15K	-238.778080
HF Energy	-238.775237
Nuclear repulsion energy	77.221816

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	3056	2940	49.43	119.17	0.10	0.19
2	A₁	1510	1452	2.59	7.78	0.72	0.84
3	A₁	1143	1100	108.98	3.51	0.32	0.48
4	A₁	534	514	4.69	1.77	0.73	0.84
5	A₂	1263	1215	0.00	11.06	0.75	0.86
6	B₁	3130	3011	59.95	54.79	0.75	0.86
7	B₁	1174	1129	21.59	1.88	0.75	0.86
8	B₂	1461	1405	35.68	3.72	0.75	0.86
9	B₂	1143	1099	230.70	3.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.498
H2	-0.916	0.000	1.112
H3	0.916	0.000	1.112
F4	0.000	1.101	-0.290
F5	0.000	-1.101	-0.290

	C1	H2	H3	F4	F5
C1		1.1028	1.1028	1.3540	1.3540
H2	1.1028		1.8324	2.0042	2.0042
H3	1.1028	1.8324		2.0042	2.0042
F4	1.3540	2.0042	2.0042		2.2024
F5	1.3540	2.0042	2.0042	2.2024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.357	H2	C1	F4	108.897
H2	C1	F5	108.897	H3	C1	F4	108.897
H3	C1	F5	108.897	F4	C1	F5	108.835

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

using model chemistry: HSEh1PBE/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	0.356
2	H	0.037
3	H	0.037
4	F	-0.215
5	F	-0.215

	x	y	z	Total
	0.000	0.000	1.788	1.788
CHELPG
AIM
ESP

<r²>	39.042
(<r²>)^1/2	6.248

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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