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	hartrees
Energy at 0K	-239.091855
Energy at 298.15K
HF Energy	-239.091855
Nuclear repulsion energy	76.955055

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	3049	3049	40.84	122.42	0.06	0.12
2	A₁	1528	1528	0.16	3.27	0.71	0.83
3	A₁	1105	1105	99.74	6.16	0.16	0.27
4	A₁	523	523	4.61	1.18	0.62	0.77
5	A₂	1267	1267	0.00	4.24	0.75	0.86
6	B₁	3119	3119	30.20	43.58	0.75	0.86
7	B₁	1178	1178	15.53	0.58	0.75	0.86
8	B₂	1450	1450	10.52	0.60	0.75	0.86
9	B₂	1065	1065	261.03	2.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	-0.912	0.000	1.103
H3	0.912	0.000	1.103
F4	0.000	1.106	-0.291
F5	0.000	-1.106	-0.291

	C1	H2	H3	F4	F5
C1		1.0900	1.0900	1.3630	1.3630
H2	1.0900		1.8234	1.9993	1.9993
H3	1.0900	1.8234		1.9993	1.9993
F4	1.3630	1.9993	1.9993		2.2119
F5	1.3630	1.9993	1.9993	2.2119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.537	H2	C1	F4	108.681
H2	C1	F5	108.681	H3	C1	F4	108.681
H3	C1	F5	108.681	F4	C1	F5	108.470

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

using model chemistry: B3LYPultrafine/aug-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	0.017
2	H	0.332
3	H	0.332
4	F	-0.340
5	F	-0.340

	x	y	z	Total
	0.000	0.000	1.974	1.974
CHELPG
AIM
ESP

<r²>	39.629
(<r²>)^1/2	6.295

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

using model chemistry: B3LYPultrafine/aug-cc-pCVTZ

States and conformations

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