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	hartrees
Energy at 0K	-239.051397
Energy at 298.15K
HF Energy	-239.051397
Nuclear repulsion energy	76.080379

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	2951	2951	47.70	124.59	0.09	0.16
2	A₁	1486	1486	0.61	5.10	0.68	0.81
3	A₁	1052	1052	89.41	3.84	0.29	0.45
4	A₁	500	500	3.37	1.86	0.69	0.82
5	A₂	1224	1224	0.00	8.10	0.75	0.86
6	B₁	3016	3016	49.42	51.11	0.75	0.86
7	B₁	1145	1145	15.47	1.99	0.75	0.86
8	B₂	1413	1413	13.19	2.96	0.75	0.86
9	B₂	1007	1007	230.50	2.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	-0.918	0.000	1.112
H3	0.918	0.000	1.112
F4	0.000	1.121	-0.293
F5	0.000	-1.121	-0.293

	C1	H2	H3	F4	F5
C1		1.0978	1.0978	1.3787	1.3787
H2	1.0978		1.8356	2.0181	2.0181
H3	1.0978	1.8356		2.0181	2.0181
F4	1.3787	2.0181	2.0181		2.2425
F5	1.3787	2.0181	2.0181	2.2425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.438	H2	C1	F4	108.621
H2	C1	F5	108.621	H3	C1	F4	108.621
H3	C1	F5	108.621	F4	C1	F5	108.831

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

using model chemistry: BLYP/cc-pCVTZ

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	0.279
2	H	0.053
3	H	0.053
4	F	-0.192
5	F	-0.192

	x	y	z	Total
	0.000	0.000	1.806	1.806
CHELPG
AIM
ESP

<r²>	40.238
(<r²>)^1/2	6.343

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

using model chemistry: BLYP/cc-pCVTZ

States and conformations

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