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	hartrees
Energy at 0K	-239.081791
Energy at 298.15K	-239.084622
HF Energy	-239.081791
Nuclear repulsion energy	77.038719

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	3043	2942	45.85	116.73	0.09	0.16
2	A₁	1535	1483	0.67	4.59	0.70	0.82
3	A₁	1113	1076	100.47	3.63	0.28	0.44
4	A₁	526	508	4.37	1.57	0.68	0.81
5	A₂	1272	1230	0.00	7.24	0.75	0.86
6	B₁	3112	3009	44.51	45.87	0.75	0.86
7	B₁	1185	1146	18.23	1.59	0.75	0.86
8	B₂	1463	1414	16.27	2.36	0.75	0.86
9	B₂	1084	1048	239.60	2.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.503
H2	-0.910	0.000	1.104
H3	0.910	0.000	1.104
F4	0.000	1.105	-0.290
F5	0.000	-1.105	-0.290

	C1	H2	H3	F4	F5
C1		1.0907	1.0907	1.3606	1.3606
H2	1.0907		1.8204	1.9985	1.9985
H3	1.0907	1.8204		1.9985	1.9985
F4	1.3606	1.9985	1.9985		2.2108
F5	1.3606	1.9985	1.9985	2.2108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.133	H2	C1	F4	108.736
H2	C1	F5	108.736	H3	C1	F4	108.736
H3	C1	F5	108.736	F4	C1	F5	108.678

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

using model chemistry: B3LYPultrafine/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	0.345
2	H	0.037
3	H	0.037
4	F	-0.209
5	F	-0.209

	x	y	z	Total
	0.000	0.000	1.873	1.873
CHELPG
AIM
ESP

<r²>	39.404
(<r²>)^1/2	6.277

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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