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	hartrees
Energy at 0K	-239.085250
Energy at 298.15K
HF Energy	-239.085250
Nuclear repulsion energy	77.056936

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	3039	3039	46.34	117.14	0.09	0.16
2	A₁	1534	1534	0.67	4.60	0.70	0.82
3	A₁	1113	1113	100.00	3.60	0.28	0.44
4	A₁	527	527	4.34	1.57	0.69	0.82
5	A₂	1273	1273	0.00	7.23	0.75	0.86
6	B₁	3106	3106	44.72	46.15	0.75	0.86
7	B₁	1185	1185	18.14	1.56	0.75	0.86
8	B₂	1463	1463	15.75	2.37	0.75	0.86
9	B₂	1084	1084	237.40	2.52	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	1.3602	1.3602
H2	1.0907		1.8200	1.9982	1.9982
H3	1.0907	1.8200		1.9982	1.9982
F4	1.3602	1.9982	1.9982		2.2103
F5	1.3602	1.9982	1.9982	2.2103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.098	H2	C1	F4	108.743
H2	C1	F5	108.743	H3	C1	F4	108.743
H3	C1	F5	108.743	F4	C1	F5	108.687

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

using model chemistry: B3LYPultrafine/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	0.319
2	H	0.046
3	H	0.046
4	F	-0.206
5	F	-0.206

	x	y	z	Total
	0.000	0.000	1.868	1.868
CHELPG
AIM
ESP

<r²>	39.385
(<r²>)^1/2	6.276

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

using model chemistry: B3LYPultrafine/cc-pCVTZ

States and conformations

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