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	hartrees
Energy at 0K	-238.975030
Energy at 298.15K	-238.977823
HF Energy	-238.975030
Nuclear repulsion energy	76.519681

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	2982	2941	51.22	121.70	0.09	0.16
2	A₁	1494	1473	0.61	4.08	0.70	0.83
3	A₁	1071	1057	97.25	4.42	0.25	0.41
4	A₁	510	503	3.46	1.75	0.68	0.81
5	A₂	1238	1221	0.00	7.42	0.75	0.86
6	B₁	3052	3010	49.83	48.44	0.75	0.86
7	B₁	1156	1140	15.82	1.71	0.75	0.86
8	B₂	1424	1404	14.42	2.29	0.75	0.86
9	B₂	1029	1014	255.76	2.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.917	0.000	1.106
H3	0.917	0.000	1.106
F4	0.000	1.114	-0.291
F5	0.000	-1.114	-0.291

	C1	H2	H3	F4	F5
C1		1.0964	1.0964	1.3697	1.3697
H2	1.0964		1.8341	2.0088	2.0088
H3	1.0964	1.8341		2.0088	2.0088
F4	1.3697	2.0088	2.0088		2.2288
F5	1.3697	2.0088	2.0088	2.2288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.528	H2	C1	F4	108.583
H2	C1	F5	108.583	H3	C1	F4	108.583
H3	C1	F5	108.583	F4	C1	F5	108.896

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

using model chemistry: B97D3/Def2TZVPP

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	0.238
2	H	0.077
3	H	0.077
4	F	-0.197
5	F	-0.197

	x	y	z	Total
	0.000	0.000	1.823	1.823
CHELPG
AIM
ESP

<r²>	39.837
(<r²>)^1/2	6.312

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

using model chemistry: B97D3/Def2TZVPP

States and conformations

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