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	hartrees
Energy at 0K	-55.176281
Energy at 298.15K	-55.179015
HF Energy	-55.176281
Nuclear repulsion energy	43.436971

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	3105	3007	50.92	112.70	0.11	0.20
2	A₁	1501	1453	0.14	7.47	0.71	0.83
3	A₁	1018	986	82.15	9.07	0.16	0.28
4	A₁	465	450	8.35	3.23	0.67	0.80
5	A₂	1213	1175	0.00	11.74	0.75	0.86
6	B₁	3217	3115	49.12	45.91	0.75	0.86
7	B₁	1124	1088	14.16	4.18	0.75	0.86
8	B₂	1428	1383	13.49	4.09	0.75	0.86
9	B₂	1008	976	214.53	6.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
H2	-0.930	0.000	1.119
H3	0.930	0.000	1.119
F4	0.000	1.152	-0.302
F5	0.000	-1.152	-0.302

	C1	H2	H3	F4	F5
C1		1.0991	1.0991	1.4229	1.4229
H2	1.0991		1.8596	2.0523	2.0523
H3	1.0991	1.8596		2.0523	2.0523
F4	1.4229	2.0523	2.0523		2.3038
F5	1.4229	2.0523	2.0523	2.3038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	115.551	H2	C1	F4	108.243
H2	C1	F5	108.243	H3	C1	F4	108.243
H3	C1	F5	108.243	F4	C1	F5	108.100

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

using model chemistry: B3LYP/CEP-31G

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	-0.019
2	H	0.213
3	H	0.213
4	F	-0.204
5	F	-0.204

	x	y	z	Total
	0.000	0.000	2.764	2.764
CHELPG
AIM
ESP

<r²>	35.712
(<r²>)^1/2	5.976

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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