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	hartrees
Energy at 0K	-239.073009
Energy at 298.15K	-239.075827
HF Energy	-239.073009
Nuclear repulsion energy	76.976486

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	3048	3048	42.11	114.43	0.07	0.14
2	A₁	1535	1535	0.26	3.64	0.73	0.85
3	A₁	1104	1104	97.51	6.18	0.15	0.26
4	A₁	517	517	4.41	1.31	0.62	0.77
5	A₂	1267	1267	0.00	4.59	0.75	0.86
6	B₁	3123	3123	33.60	44.95	0.75	0.86
7	B₁	1182	1182	14.81	0.91	0.75	0.86
8	B₂	1449	1449	10.15	0.87	0.75	0.86
9	B₂	1063	1063	259.53	2.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.507
H2	-0.915	0.000	1.101
H3	0.915	0.000	1.101
F4	0.000	1.105	-0.291
F5	0.000	-1.105	-0.291

	C1	H2	H3	F4	F5
C1		1.0908	1.0908	1.3629	1.3629
H2	1.0908		1.8294	1.9990	1.9990
H3	1.0908	1.8294		1.9990	1.9990
F4	1.3629	1.9990	1.9990		2.2093
F5	1.3629	1.9990	1.9990	2.2093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.984	H2	C1	F4	108.607
H2	C1	F5	108.607	H3	C1	F4	108.607
H3	C1	F5	108.607	F4	C1	F5	108.290

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.641
2	H	0.082
3	H	0.082
4	F	-0.403
5	F	-0.403

	x	y	z	Total
	0.000	0.000	1.962	1.962
CHELPG
AIM
ESP

<r²>	39.500
(<r²>)^1/2	6.285

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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