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	hartrees
Energy at 0K	-239.054862
Energy at 298.15K	-239.057623
HF Energy	-239.054862
Nuclear repulsion energy	75.933353

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	2968	2968	41.09	129.22	0.07	0.12
2	A₁	1479	1479	0.15	3.52	0.71	0.83
3	A₁	1041	1041	90.09	7.31	0.14	0.25
4	A₁	496	496	3.67	1.37	0.60	0.75
5	A₂	1219	1219	0.00	4.47	0.75	0.86
6	B₁	3037	3037	31.75	48.71	0.75	0.86
7	B₁	1135	1135	13.08	0.66	0.75	0.86
8	B₂	1397	1397	8.33	0.82	0.75	0.86
9	B₂	982	982	260.33	2.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	-0.920	0.000	1.110
H3	0.920	0.000	1.110
F4	0.000	1.123	-0.294
F5	0.000	-1.123	-0.294

	C1	H2	H3	F4	F5
C1		1.0965	1.0965	1.3828	1.3828
H2	1.0965		1.8400	2.0194	2.0194
H3	1.0965	1.8400		2.0194	2.0194
F4	1.3828	2.0194	2.0194		2.2451
F5	1.3828	2.0194	2.0194	2.2451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.075	H2	C1	F4	108.526
H2	C1	F5	108.526	H3	C1	F4	108.526
H3	C1	F5	108.526	F4	C1	F5	108.537

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

using model chemistry: BLYP/daug-cc-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	0.527
2	H	0.403
3	H	0.403
4	F	-0.667
5	F	-0.667

	x	y	z	Total
	0.000	0.000	1.942	1.942
CHELPG
AIM
ESP

<r²>	40.566
(<r²>)^1/2	6.369

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

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

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