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	hartrees
Energy at 0K	-238.990922
Energy at 298.15K	-238.993656
HF Energy	-238.990922
Nuclear repulsion energy	74.401590

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	3113	2992	46.68	101.91	0.10	0.18
2	A₁	1504	1446	0.00	7.34	0.74	0.85
3	A₁	1021	981	80.69	7.80	0.15	0.27
4	A₁	465	447	7.81	2.94	0.68	0.81
5	A₂	1212	1165	0.00	13.14	0.75	0.86
6	B₁	3211	3086	34.25	38.01	0.75	0.86
7	B₁	1128	1084	11.99	4.15	0.75	0.86
8	B₂	1434	1379	11.72	4.10	0.75	0.86
9	B₂	1010	971	214.27	4.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
H2	-0.922	0.000	1.118
H3	0.922	0.000	1.118
F4	0.000	1.147	-0.301
F5	0.000	-1.147	-0.301

	C1	H2	H3	F4	F5
C1		1.0936	1.0936	1.4176	1.4176
H2	1.0936		1.8450	2.0453	2.0453
H3	1.0936	1.8450		2.0453	2.0453
F4	1.4176	2.0453	2.0453		2.2949
F5	1.4176	2.0453	2.0453	2.2949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	115.034	H2	C1	F4	108.381
H2	C1	F5	108.381	H3	C1	F4	108.381
H3	C1	F5	108.381	F4	C1	F5	108.087

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

using model chemistry: B3LYP/LANL2DZ

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	0.077
2	H	0.212
3	H	0.212
4	F	-0.250
5	F	-0.250

	x	y	z	Total
	0.000	0.000	2.680	2.680
CHELPG
AIM
ESP

<r²>	41.654
(<r²>)^1/2	6.454

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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