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	hartrees
Energy at 0K	-237.671803
Energy at 298.15K	-237.674607
HF Energy	-237.671803
Nuclear repulsion energy	75.363115

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	3052	2945	48.01	95.01	0.12	0.21
2	A₁	1599	1543	2.81	13.81	0.74	0.85
3	A₁	1082	1044	71.48	5.10	0.21	0.35
4	A₁	493	476	6.05	2.32	0.74	0.85
5	A₂	1271	1226	0.00	19.11	0.75	0.86
6	B₁	3099	2990	84.41	50.69	0.75	0.86
7	B₁	1165	1124	15.00	3.78	0.75	0.86
8	B₂	1509	1456	35.07	7.36	0.75	0.86
9	B₂	1124	1085	137.46	3.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	-0.901	0.000	1.128
H3	0.901	0.000	1.128
F4	0.000	1.138	-0.295
F5	0.000	-1.138	-0.295

	C1	H2	H3	F4	F5
C1		1.0937	1.0937	1.3922	1.3922
H2	1.0937		1.8014	2.0323	2.0323
H3	1.0937	1.8014		2.0323	2.0323
F4	1.3922	2.0323	2.0323		2.2754
F5	1.3922	2.0323	2.0323	2.2754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	110.873	H2	C1	F4	109.085
H2	C1	F5	109.085	H3	C1	F4	109.085
H3	C1	F5	109.085	F4	C1	F5	109.613

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

using model chemistry: B3LYP/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	0.218
2	H	0.185
3	H	0.185
4	F	-0.294
5	F	-0.294

	x	y	z	Total
	0.000	0.000	1.945	1.945
CHELPG
AIM
ESP	0.006	0.000	1.968	1.968

<r²>	40.644
(<r²>)^1/2	6.375

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

using model chemistry: B3LYP/3-21G

States and conformations

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