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	hartrees
Energy at 0K	-239.012049
Energy at 298.15K	-239.014898
HF Energy	-239.012049
Nuclear repulsion energy	77.601272

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	3067	2936	46.71	115.85	0.09	0.16
2	A₁	1540	1474	0.71	4.52	0.71	0.83
3	A₁	1147	1097	103.88	3.49	0.28	0.44
4	A₁	535	512	4.78	1.46	0.69	0.81
5	A₂	1282	1227	0.00	7.07	0.75	0.86
6	B₁	3139	3004	44.12	44.98	0.75	0.86
7	B₁	1193	1142	18.69	1.46	0.75	0.86
8	B₂	1469	1406	18.83	2.19	0.75	0.86
9	B₂	1131	1083	241.08	2.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.908	0.000	1.101
H3	0.908	0.000	1.101
F4	0.000	1.096	-0.289
F5	0.000	-1.096	-0.289

	C1	H2	H3	F4	F5
C1		1.0891	1.0891	1.3496	1.3496
H2	1.0891		1.8153	1.9888	1.9888
H3	1.0891	1.8153		1.9888	1.9888
F4	1.3496	1.9888	1.9888		2.1922
F5	1.3496	1.9888	1.9888	2.1922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.898	H2	C1	F4	108.810
H2	C1	F5	108.810	H3	C1	F4	108.810
H3	C1	F5	108.810	F4	C1	F5	108.620

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

using model chemistry: B1B95/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	0.293
2	H	0.048
3	H	0.048
4	F	-0.194
5	F	-0.194

	x	y	z	Total
	0.000	0.000	1.847	1.847
CHELPG
AIM
ESP

<r²>	38.870
(<r²>)^1/2	6.235

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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