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	hartrees
Energy at 0K	-238.892952
Energy at 298.15K
HF Energy	-238.707734
Nuclear repulsion energy	76.887250

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	3078	3078	37.31	123.22	0.06	0.12
2	A₁	1514	1514	0.35	3.45	0.72	0.84
3	A₁	1111	1111	99.49	7.05	0.13	0.23
4	A₁	528	528	4.86	1.22	0.58	0.74
5	A₂	1267	1267	0.00	4.91	0.75	0.86
6	B₁	3161	3161	24.95	43.68	0.75	0.86
7	B₁	1174	1174	16.93	0.63	0.75	0.86
8	B₂	1445	1445	12.48	0.76	0.75	0.86
9	B₂	1084	1084	258.32	2.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.507
H2	-0.919	0.000	1.109
H3	0.919	0.000	1.109
F4	0.000	1.105	-0.292
F5	0.000	-1.105	-0.292

	C1	H2	H3	F4	F5
C1		1.0990	1.0990	1.3631	1.3631
H2	1.0990		1.8383	2.0070	2.0070
H3	1.0990	1.8383		2.0070	2.0070
F4	1.3631	2.0070	2.0070		2.2093
F5	1.3631	2.0070	2.0070	2.2093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.519	H2	C1	F4	108.732
H2	C1	F5	108.732	H3	C1	F4	108.732
H3	C1	F5	108.732	F4	C1	F5	108.273

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

using model chemistry: B2PLYP=FULLultrafine/Sadlej_pVTZ

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	2.187
2	H	-0.583
3	H	-0.583
4	F	-0.510
5	F	-0.510

<r²>	39.580
(<r²>)^1/2	6.291

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

using model chemistry: B2PLYP=FULLultrafine/Sadlej_pVTZ

States and conformations

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